cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb2000040
title: Controlling the interaction of hemicellulose (galactoglucomannan, GGM) with cellulose by means of enzyme modification

description: Softwood hemicellulose (galactoglucomannan, GGM) is one of the major plant polysaccharides found in cell walls after cellulose. It makes up to 25% of the wood in Sweden, however, currently most of it is obtained as a by-product of several industrial processes and discarded in waste-stream. The aim of the project is to develop sustainable processes to biocatalytically modify GGM structure in order to transform it to a versatile and excellent renewable resource for novel high-performance products. One of such products is a coating material for wood, therefore adhesion properties of GGM to cellulose are of great interest. The focus of the present study is the influence of size and galactose substitution degree on adsorption of GGM to cellulose surface.
DOI: 10.5286/isis.e.rb2000040-1
title: Controlling the interaction of hemicellulose (galactoglucomannan, GGM) with cellulose by means of enzyme modification

description: Softwood hemicellulose (galactoglucomannan, GGM) is one of the major plant polysaccharides found in cell walls after cellulose. It makes up to 25% of the wood in Sweden, however, currently most of it is obtained as a by-product of several industrial processes and discarded in waste-stream. The aim of the project is to develop sustainable processes to biocatalytically modify GGM structure in order to transform it to a versatile and excellent renewable resource for novel high-performance products. One of such products is a coating material for wood, therefore adhesion properties of GGM to cellulose are of great interest. The focus of the present study is the influence of size and galactose substitution degree on adsorption of GGM to cellulose surface.
DOI: 10.5286/isis.e.rb2000049
title: Understanding pressure-driven structural changes in FePO4-II

description: The room temperature high pressure behaviour of FePO4-I has been investigated and a phase transition at around 2.5 GPa to the orthorhombic phase (FePO4-II) accompanied by a significant amount of amorphisation is observed but remains a mixture of phase II and amorphous FePO4. Such behaviour is similar to that seen in SiO2, and it is this reason why this material is studied at high pressure as it is an analogue for geologically relevant materials. The presence of the amorphous material means that studying the behaviour of FePO4-II at high pressure is hindered. It is the aim of this study to study the high pressure behaviour of FePO4-II without the presence of the amorphous contaminant. Also utilising the unique properties of neutrons it will be possible to determine accurate oxygen positions and hence the tilting mechanisms of the two type of polyhedra.
DOI: 10.17632/5yph929n83.1
title: Alzheimer disease patient's engagement to Cognitive Stimulation exercises

description: Alzheimer disease patient's engagement to Cognitive Stimulation exercises from PhD Silvia Tato-Colín
DOI: 10.17632/xpx87pztfc.1
title: Short-term Assessment of Biochemical Profiles of Selected Aquatic Macrophytes in relation to Surface Water Quality

description: For the present study, two urban ponds were selected in Karamsad Town, Anand District, Gujarat State, India, during January to April, 2014. The study highlights the surface water quality and biochemical profile of selected aquatic macrophytes Eichhornia crassipes (EC), Ipomea carnea (IC) and Polygonum glabrum (PG). To determine the surface water quality, parameters such as pH, Dissolved Oxygen (DO), Total Solids (TS), Total Suspended Solids (TSS), Total Dissolved Solids (TDS), Free CO2, Phenolphthalein Alkalinity (PA), Total Alkalinity (TA), Carbonates, Bicarbonates, Total Hardness (TH), Calcium (Ca), Magnesium (Mg), Chloride, Salinity, Sulphate, Phosphate, Nitrate, Chromium (Cr) and Ferrous (Fe). The contents of DO, TS, TSS, TDS, TA, Bicarbonates, Ca, Chloride, Salinity, Sulphate, Nitrate, Cr and Fe were found higher in Pond 1 (G1), while rest of the parameters showed more contents in Pond 2 (G2). The biochemical profile of intact plant, root, stem, and leaf was drawn by analyzing the parameters like Total Carbohydrates (TC), Phenols, Amino Acids (AA), and Proteins. In case of intact plant, TC and AA were found more in PG, Phenols in EC, and Proteins in IC. Correlation Coefficient Matrix (r) was also derived between surface water quality and biochemical compounds. In EC, TC showed positive correlation with Salinity, and Phenols, AA, and Proteins with Sulphate. In IC, TC and Phenols were positively correlated with pH, AA with Phosphate, and Proteins with Salinity. In PG, TC exhibited positive correlation with Ca, Phenols with Fe, and AA and Phenols with DO.
DOI: 10.17632/xpx87pztfc.2
title: Short-term Assessment of Biochemical Profiles of Selected Aquatic Macrophytes in relation to Surface Water Quality

description: For the present study, two urban ponds were selected in Karamsad Town, Anand District, Gujarat State, India, during January to April, 2014. The study highlights the surface water quality and biochemical profile of selected aquatic macrophytes Eichhornia crassipes (EC), Ipomea carnea (IC) and Polygonum glabrum (PG). To determine the surface water quality, parameters such as pH, Dissolved Oxygen (DO), Total Solids (TS), Total Suspended Solids (TSS), Total Dissolved Solids (TDS), Free CO2, Phenolphthalein Alkalinity (PA), Total Alkalinity (TA), Carbonates, Bicarbonates, Total Hardness (TH), Calcium (Ca), Magnesium (Mg), Chloride, Salinity, Sulphate, Phosphate, Nitrate, Chromium (Cr) and Ferrous (Fe). The contents of DO, TS, TSS, TDS, TA, Bicarbonates, Ca, Chloride, Salinity, Sulphate, Nitrate, Cr and Fe were found higher in Pond 1 (G1), while rest of the parameters showed more contents in Pond 2 (G2). The biochemical profile of intact plant, root, stem, and leaf was drawn by analyzing the parameters like Total Carbohydrates (TC), Phenols, Amino Acids (AA), and Proteins. In case of intact plant, TC and AA were found more in PG, Phenols in EC, and Proteins in IC. Correlation Coefficient Matrix (r) was also derived between surface water quality and biochemical compounds. In EC, TC showed positive correlation with Salinity and Phenols, AA and Proteins with Sulphate. In IC, TC and Phenols were positively correlated with pH, AA with Phosphate, and Proteins with Salinity. In PG, TC exhibited positive correlation with Ca, Phenols with Fe, and AA and Phenols with DO. The findings of the present study revealed that Pond 1 (G1) was found more polluted compared to Pond 2 (G2) (which is remotely located from town) due to its close vicinity to human settlement and direct or indirect anthropogenic interventions such as garbage, dumping, solid waste piles, etc. From the above findings, it is also clear that most of the physico-chemical parameters of surface water quality were found to be affected by biochemical compounds of selected aquatic macrophytes and vice-versa. Thus, as a management perspective it is suggested to install water purification plant with intended eradication of obnoxious aquatic weeds from the hydrological regime along with Eichhornia crassipes to conserve the prevailing biodiversity of the studied palustrine habitats for better sustenance of abiotic as well as biotic elements present therein. Focusing on the ‘reuse approach’, Eichhornia crassipes can also be reused by preparing the organic manure using standard scientific methods and techniques, which can be embarked as a low-cost effective solution in improving the yield of traditional crops in proximate agricultural ecosystems of the study area.
DOI: 10.5286/isis.e.rb1920048-2
title: Sorption of H2O/D2O water mixtures in the NaX faujasite: Site-specific adsorption and local dynamics via the neutron Compton scattering

description: Already in the low temperature region of the water adsorption behaviour in faujasite NaX at different hydration levels, an important question that requires further research is kept open: what is the possible role and type of nuclear quantum tunnelling (NQT) in the dynamics of confined water molecules. This proposal aims to shed more light on this question by conducting experiments of Neutron Compton Dispersion (NCS) experiments on H2O/D2O mixtures confined in the NaX faujasite network at temperatures between 40 and 270 K, to search for nuclear momentum distributions signatures (NMDs) of the microscopic differences in the H2O/D2O mixtures adsorption in powder samples of the NaX zeolite.
DOI: 10.5286/isis.e.rb1920263
title: A study of ammonia kinetics in Zr-based metal-organic frameworks

description: Combined with computational modeling, in situ quasi-elastic neutron scattering (QENS) at OSIRIS beamline will be employed to study ammonia transport and self- diffusivities at 298 K in the host structure of UiO-67 metal-organic frameworks (MOFs) as a function of increased ammonia loading. Results will be used to interpret the stepped ammonia sorption isotherms of these materials, which may open a new perspective of structure-adsorption relationships in MOF materials. Findings will also enable our rational design of Zr-based MOFs for efficient catalytic ammonia decomposition to produce hydrogen for fuel cell applications.
DOI: 10.5286/isis.e.rb1920263-1
title: A study of ammonia kinetics in Zr-based metal-organic frameworks

description: Combined with computational modeling, in situ quasi-elastic neutron scattering (QENS) at OSIRIS beamline will be employed to study ammonia transport and self- diffusivities at 298 K in the host structure of UiO-67 metal-organic frameworks (MOFs) as a function of increased ammonia loading. Results will be used to interpret the stepped ammonia sorption isotherms of these materials, which may open a new perspective of structure-adsorption relationships in MOF materials. Findings will also enable our rational design of Zr-based MOFs for efficient catalytic ammonia decomposition to produce hydrogen for fuel cell applications.
DOI: 10.5286/isis.e.rb1920567
title: Chiral Magnetism in the room temperature skyrmion-carrying material CoZn

description: Chiral skyrmions are one of the most active areas of research in magnetism. A skyrmion is a topological stable soliton in which outer spins lie parallel to the applied field and the inner core antiparallel with a coherent rotation of the spins in between. Electrons traversing this swirling magnetization produce a topological Hall effect which can be used for electrical detection. Moreover, they can be moved very efficiently by electrical currents. If skyrmions are to be realised in devices robust, planar skyrmions have to be created with ordering temperatures significantly above room temperature. In this proposal we will look at a new class of materials that in the bulk support skyrmions above room temperature. We will study them in a thin film form, as would any likely device structure, and spatially resolve their magnetic structure. This is not possible by any other technique.
DOI: 10.5286/isis.e.rb1920567-1
title: Chiral Magnetism in the room temperature skyrmion-carrying material CoZn

description: Chiral skyrmions are one of the most active areas of research in magnetism. A skyrmion is a topological stable soliton in which outer spins lie parallel to the applied field and the inner core antiparallel with a coherent rotation of the spins in between. Electrons traversing this swirling magnetization produce a topological Hall effect which can be used for electrical detection. Moreover, they can be moved very efficiently by electrical currents. If skyrmions are to be realised in devices robust, planar skyrmions have to be created with ordering temperatures significantly above room temperature. In this proposal we will look at a new class of materials that in the bulk support skyrmions above room temperature. We will study them in a thin film form, as would any likely device structure, and spatially resolve their magnetic structure. This is not possible by any other technique.
DOI: 10.5286/isis.e.rb1920574-2
title: Muon level-crossing resonances as a probe for studying antiferromagnets at pulsed muon sources

description: We propose a set of measurements using the HiFi spectrometer in which muon level-crossing resonances are used to probe the internal field inside antiferromagnets in which the precession frequency is too large to observe at a pulsed muon source. The idea is based on an old experiment by Kiefl et al. on MnF2. Performing such an experiment at ISIS has the added benefit that information from the time-dependence of the relaxation can be obtained, shedding more light on the transverse couplings that occur at resonance when the principal interactions have been "cancelled out". By performing these experiments on single crystals of fluorides with the rutile structure we have the added benefit that the muon site is well-known through DFT+mu calculations by Moeller et al. The revival of this technique has the potential to become more widely used in the study of magnetic materials with muons.
DOI: 10.5286/isis.e.rb2000035
title: Probing magnetic ground state in Chromium doped topological insulator

description: The topological insulating materials doped with the magnetic impurity recently attracts special attention for the spintronic applications, where possible coexistence of magnetic ordering and topological insulating state needs to be explored. Our recent observation of magnetization study on Cr doped Sb2Te3 system proposes possible ferromagnetically ordered state associated with the TI states. The low temperature magnetization curve exhibits coexisting ferromagnetic behaviour at low magnetic field and diamagnetic behaviour at high magnetic field. Here, we are interested to probe nature of magnetic ordering in Sb2-xCrxTe3 using µ-SR studies, being a microscopic probe. We would like to confirm low temperature ferromagnetic state, whether it appears due to short range Cr clusters or a typical long range ferromagnetic ordered state. Our prime focus is to determine the magnetic ground state.
DOI: 10.17632/58kh33fckt.1
title: Data and Algorithm for: Bayesian Modeling and Computation for Analyte Quantification in Complex Mixtures Using Raman Spectroscopy

description: This dataset contains our algorithm implementation as well as the Raman spectral data presented in "Bayesian Modeling and Computation for Analyte Quantification in Complex Mixtures Using Raman Spectroscopy", published in Computational Statistics & Data Analysis. Detailed execution comments are provided in the Python files. Paper link: https://doi.org/10.1016/j.csda.2019.106846
DOI: 10.5285/131fd45e37d74bcc82d9a6e12fc1d366
title: HadUK-Grid Climate Observations by UK river basins, v1.0.1.0 (1862-2018)

description: HadUK-Grid is a collection of gridded climate variables derived from the network of UK land surface observations. The data have been interpolated from meteorological station data onto a uniform grid to provide complete and consistent coverage across the UK. These data at 1km resolution have been averaged across a set of discrete geographies defining UK river basins consistent with data from UKCP18 climate projections. The dataset spans the period from 1862 to 2018, but the start time is dependent on climate variable and temporal resolution. The grids are produced for daily, monthly, seasonal and annual timescales, as well as long term averages for a set of climatological reference periods. Variables include air temperature (maximum, minimum and mean), precipitation, sunshine, mean sea level pressure, wind speed, relative humidity, vapour pressure, days of snow lying, and days of ground frost. This data set supersedes the UKCP09 gridded observations and the earlier v1.0.0.0 version. Subsequent versions may be released in due course and will follow the version numbering as outlined by Hollis et al. (2018, see linked documentation). The primary purpose of these data are to facilitate monitoring of UK climate and research into climate change, impacts and adaptation. The datasets have been created by the Met Office with financial support from the Department for Business, Energy and Industrial Strategy (BEIS) and Department for Environment, Food and Rural Affairs (DEFRA) in order to support the Public Weather Service Customer Group (PWSCG), the Hadley Centre Climate Programme, and the UK Climate Projections (UKCP18) project. The data recovery activity to supplement 19th and early 20th Century data availability has also been funded by the Natural Environment Research Council (NERC grant ref: NE/L01016X/1) project "Analysis of historic drought and water scarcity in the UK". The dataset is provided under Open Government Licence.
DOI: 10.5286/isis.e.rb1920185
title: Quantum critical dynamics in the presence of disorder

description: Quantum phase transitions are abrupt qualitative changes of a system's groundstate occurring only at exactly zero temperature. Such critical points - although never reachable  in their vicinity strongly impact many physical properties, even at comparably high temperatures. In fact, properties of many exotic materials are now linked to quantum phase transitions and these are studied intensely. Magnetic insulators make excellent model systems for such studies, as it is often possible to induce quantum phase transitions by applying a strong magnetic field or hydrostatic pressure. In the proposed experiment we study a compound that is quantum critical even at ambient fields and pressure as the quantum phase transition occurs as a function of chemical composition.
DOI: 10.5286/isis.e.rb1920185-1
title: Quantum critical dynamics in the presence of disorder

description: Quantum phase transitions are abrupt qualitative changes of a system's groundstate occurring only at exactly zero temperature. Such critical points - although never reachable  in their vicinity strongly impact many physical properties, even at comparably high temperatures. In fact, properties of many exotic materials are now linked to quantum phase transitions and these are studied intensely. Magnetic insulators make excellent model systems for such studies, as it is often possible to induce quantum phase transitions by applying a strong magnetic field or hydrostatic pressure. In the proposed experiment we study a compound that is quantum critical even at ambient fields and pressure as the quantum phase transition occurs as a function of chemical composition.
DOI: 10.5286/isis.e.rb1920654
title: Solvation structures of cyclic compounds: the crown ethers

description: Crown ethers are cyclic molecules formed by joining ether groups into a ring. These compounds have many interesting solution properties, including their ability to bind strongly to certain cations. We request 4 days of beamtime on NIMROD to study the structure of concentrated and dilute solutions of 15-crown-5 (15 atoms in the ring, and 5 ether groups) in two different solvents: Methanol and Dimethyl Ether (DME). This proposal will enable us to determine the microscopic solvation of crown ethers in the presence and absence of hydrogen bonding, both with and without complexed ions. These experiments will exploit the unique ability of neutron scattering to elucidate of liquid structure, and will use isotopic labelling of the solvent molecules to highlight very subtle structural features. This approach will enable us to answer many fundamental questions regarding crown ether solvation.
DOI: 10.5286/isis.e.rb1920654-3
title: Solvation structures of cyclic compounds: the crown ethers

description: Crown ethers are cyclic molecules formed by joining ether groups into a ring. These compounds have many interesting solution properties, including their ability to bind strongly to certain cations. We request 4 days of beamtime on NIMROD to study the structure of concentrated and dilute solutions of 15-crown-5 (15 atoms in the ring, and 5 ether groups) in two different solvents: Methanol and Dimethyl Ether (DME). This proposal will enable us to determine the microscopic solvation of crown ethers in the presence and absence of hydrogen bonding, both with and without complexed ions. These experiments will exploit the unique ability of neutron scattering to elucidate of liquid structure, and will use isotopic labelling of the solvent molecules to highlight very subtle structural features. This approach will enable us to answer many fundamental questions regarding crown ether solvation.
DOI: 10.5286/isis.e.rb1970007
title: Transport properties of garnet-type Lithium lanthanum zirconium oxide solid-state electrolytes for Lithium batteries

description: To address the safety problems of lithium-ion batteries mainly caused by to flammable liquid electrolytes, all-solid-state-lithium-batteries (ASSLBs) with solid-state electrolytes are considered as potential replacement candidates. For ASSLBs, inorganic solid-state electrolytes are preferred mainly due to their wide temperature operation windows, better Li mobility and safety. Among the popular solid-state electrolytes, Li7La3Zr2O12 (LLZO) with a garnet structure has been shown to have favorable properties. Understanding the transport properties of Li atoms in LLZO is very crucial because the diffusion mechanism of Li atoms dictates the ionic conductivity among other factors. The main goal of this Muon study is to quantify the Li diffusion rates in LLZO and its interface with cathode with respect to the Grain boundary concentration and morphology.
DOI: 10.5286/isis.e.rb1970007-1
title: Transport properties of garnet-type Lithium lanthanum zirconium oxide solid-state electrolytes for Lithium batteries

description: To address the safety problems of lithium-ion batteries mainly caused by to flammable liquid electrolytes, all-solid-state-lithium-batteries (ASSLBs) with solid-state electrolytes are considered as potential replacement candidates. For ASSLBs, inorganic solid-state electrolytes are preferred mainly due to their wide temperature operation windows, better Li mobility and safety. Among the popular solid-state electrolytes, Li7La3Zr2O12 (LLZO) with a garnet structure has been shown to have favorable properties. Understanding the transport properties of Li atoms in LLZO is very crucial because the diffusion mechanism of Li atoms dictates the ionic conductivity among other factors. The main goal of this Muon study is to quantify the Li diffusion rates in LLZO and its interface with cathode with respect to the Grain boundary concentration and morphology.
DOI: 10.5286/isis.e.rb2000035-1
title: Probing magnetic ground state in Chromium doped topological insulator

description: The topological insulating materials doped with the magnetic impurity recently attracts special attention for the spintronic applications, where possible coexistence of magnetic ordering and topological insulating state needs to be explored. Our recent observation of magnetization study on Cr doped Sb2Te3 system proposes possible ferromagnetically ordered state associated with the TI states. The low temperature magnetization curve exhibits coexisting ferromagnetic behaviour at low magnetic field and diamagnetic behaviour at high magnetic field. Here, we are interested to probe nature of magnetic ordering in Sb2-xCrxTe3 using µ-SR studies, being a microscopic probe. We would like to confirm low temperature ferromagnetic state, whether it appears due to short range Cr clusters or a typical long range ferromagnetic ordered state. Our prime focus is to determine the magnetic ground state.
DOI: 10.5281/zenodo.3541898
title: Experimentally manipulated touch from partner and from stranger

description: Both partner of romantic couples took part in a facial emotion recognition task and received false feedback that they had done poorly. During this task, they were either touch by their partner, an opposite-gender stranger or not touched (control condition). We assessed baseline and post-test affective state and cardiovascular activity (heart rate frequency and variability).