cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5286/isis.e.rb1720126
title: Effect of doping and disorder on the skyrmion phase dynamics in Zn-doped Cu2OSeO3.

description: Skyrmions are topologically protected, nano-sized objects which have been shown to exist in the spin textures of a range of magnetic materials. As we have recently demonstrated in our work on these systems muSR is a promising method for exploring skyrmion lattices (SLs) and related physics. Here we propose to extend our investigations into the effect of doping and disorder on the local magnetism and the slow dynamics of skyrmion-hosting systems, specifically in Zn-doped Cu2OSeO3.
DOI: 10.5286/isis.e.rb1720377
title: Study of creep cavitation in a waisted creep test specimen

description: The life of modern power generating plant is limited by the high temperature performance of the materials from which it is constructed. The drive for longer operating lives, and higher operating temperatures to raise thermal efficiency, is emphasising the need to understand the role of creep cavitation damage in determining the in-service performance of structural components. One of the challenges currently faced by the nuclear utility EDF Energy is the need to predict, with high certainty, the life-time of ageing plant operating in the creep regime. This requires understanding the underlying physics and micro-mechanisms contributing to creep damage development. The object of the proposed SANS experiment is to measure the degree of cavitation as a function of creep strain using sample discs cut from a single waisted creep specimen made from 316H steel with no service history.
DOI: 10.5286/isis.e.rb1800007
title: Effect of emulsifier and added preservative on the structure and stability of model skin care creams

description: Investigations will be performed to determine the effect of composition on the internal structure of semi-solid oil-in-water emulsions designed to model the GlaxoSmithKline Physiogel range of skin care products. The model creams studied will involve essential structural components only, viz., chemically pure surfactant/co-surfactant emulsifier, and water, but with added (hydrogen- or deuterium-labelled) preservative. The latter is added to prevent microbial contamination of the creams but is also found to cause detrimental changes in long-term stability. The studies will be performed on systems with varying emulsifier composition, prepared with and without preservative, both fresh and after 1-month's storage. By such means, we aim to determine the changes in structure that manifest over time due to changes in emulsifier composition, and also those due to addition of preservative.
DOI: 10.5286/isis.e.rb1720008
title: How do demulsifiers work? A SANS study of model oil-water interfaces.

description: The project is to understand fundamental structure-performance relationships of chemical demulsifiers in water-in-crude oil (w/o) systems. In particular, to understand how different polymers (demulsifiers) affect structural behaviour and stability of model well characterised w/o microemulsion systems. Studies of crude oil demulsifier performance in the literature are limited, and there are no examples of SANS being used for this purpose. SANS is the ideal technique to use, especially when employing contrast matching to highlight different domains and layers of these multi-component systems. This proposal forms part of a PhD project fully-funded by Croda Europe Ltd.
DOI: 10.5286/isis.e.rb1720154
title: Magnetism and structure of Mn2FeRuO6

description: Magnetoelectric materials, combining properties associated with magnetic and ferroelectric memory applications (e.g. in hard drives) are difficult to prepare but would represent a huge stepforward in memory devices. One family of materials with the potential to show such properties is derived from the corundum (Al2O3) structure but with various combinations of cations (including those with magnetic moments) instead of Al3+ cations. We've recently used neutron powder diffraction to show how the magnetic behaviour of corundum-derived Mn2MnWO6 can influence its dielectric behaviour and we propose to investigate a second corundum-derived oxide, Mn2FeRuO6. By using neutron powder diffraction, we'll be able to see if a similar interplay between magnetism - crystal structure - dielectric properties exists in this oxide of a different corundum-derived crystal structure.
DOI: 10.5286/isis.e.rb1720211
title: Higher resolution inspection of the hydrocarbon pool connected with the methanol-to-gasoline reaction over ZSM-5

description: This project involves the conversion of methanol to hydrocarbons over a zeolite catalyst. The proposed beamtime will examine systematically a series of catalyst samples prepared in the Glasgow University/ISIS catalytic reactor which has been upgraded to allow long term catalyst testing under industrially realistic conditions with full on-line analysis of the reaction products. We wish in particular to distinguish between the hydrocarbon species present in the zeolite catalyst under two different reaction regimes: low temperature (300-350 C) where major products are alkanes and aromatics, and high temperature (&gt; 400 C) where olefin products dominate and catalyst lifetime is extended. The low frequency vibrational spectra from TOSCA will complement infrared and other characterisation measurements (NMR, TPO, EPR) on the same suite of samples.
DOI: 10.5286/isis.e.rb1800006
title: Understanding the antimicrobial activity of the salivary protein Histatin 5

description: The goal of this project is to understand the antimicrobial activity of the intrinsically disordered salivary protein Histatin 5, which acts in defence against oral candidiasis caused by Candida albicans. From the literature it is still unknown how the peptide transports itself through the membrane, but it is suggested to not be an ordinary pore-opening transport, instead it has been attributed to its metal binding abilities. Studies have established that various transitional metals, such as Zn, Ni, Cu, and Fe, are intrinsically present in the saliva. In this project, we aim to investigate not only how Histatin 5 interacts with the SiO2 surface but also how Histatin 5 interacts with membranes, to be able to detect structural changes of the membrane, as well as determine how Histatin 5 inserts into the membrane. For this purpose, a combined experimental and theoretical approach is used.
DOI: 10.5286/isis.e.rb1800014
title: A Study of AuMu^+ Final States by Dia RF Resonance

description: Small-sized metal nanoparticles (NPs) are of long standing interest to both magnetism and heterogeneous catalysis. Recent muSR  studies of Au NPs encapsulated in mesoporous silica at TRIUMF showed clear evidence of a reaction of the hydrogen-like muon-electron bound state muonium (Mu) with the Au NP surfaces. Preliminary results suggest faster chemical addition for smaller NPs, consistent with an anticipated enhanced catalytic effect. We propose to measure GNPs of different sizes in order to investigate whether and how the reactivity depends on the particle size. Radio Frequency muSR is a sensitive method both to confirm the final state species and to directly measure its formation rate. The study should also reveal the magnetic nature of the surface from the RF line widths.
DOI: 10.5286/isis.e.rb1800056
title: Test of Neutron Effects On Commercial Off The Shelf Microcontroller

description: The goal of this experiment is to characterize the SEU occurrence on a Microcontroller caused by neutrons. We will focus on a COTS component, in order to evaluate its robustness and its potential use in space environment. The common usage of Commercial Off-The-Shelf components for low-end space applications would permit several improvements in terms of design time and in terms of system's price. The main purpose of the experiment is to make an accurate diagnosis of what are the microcontrollers resources where the radiation causes faults.This analysis could lead to the creation of a reliability model of the microcontroller and can bring suggestions to the designers about which parts of the device need the most a radiation hardening approach.
DOI: 10.5286/isis.e.rb1810738
title: Probing Li+ diffusion mechanics in NCA nano and bulk materials

description: Recent advances in energy materials have led to the development of high capacity insertion cathodes for Li-ion batteries. A relatively new, yet attractive material is nickel cobalt aluminium oxide (NCA). However, lithium diffusion has yet to be experimentally characterised on a local scale for NCA, a highly attractive material for commercial applications. Thus, this study proposes investigation into the lithium diffusion properties in NCA for the first time and compare these to the bulk lithium diffusion observed from other techniques such as EIS and CV. The effect of particle size will also be studied.
DOI: 10.5286/isis.e.rb1810778
title: High Temperature μSR Study of Green Dioptase: Muon or Proton Diffusion?

description: Green dioptase is a naturally occurring mineral, that has a deep green colour, similar to that of an emerald, and with a chemical formula of CuSiO3.H2O. The Cu lies in quasi-1D chains and has three nearest neighbours, two along the chains and one with the adjacent chain. Since there are only three Cu nearest neighbours, this has led to some speculation for more exotic forms of magnetism; however our current work has shown that the system behaves like a 3D magnet at low temperatures. One unresolved issue is the location and behaviour of the water molecules. Our previous uSR experiments have shown an anomoly around 200 K and we believe this is related to the dynamic behaviour of the water molecules. We intend to further study this phenomenon and to further probe the dyanmics of the water molecules.
DOI: 10.14272/xhghmvvgjolvjp-ocozrvbesa-n.1
title: Dimethyl (E)-2-((4-iodophenyl)diazenyl)-[1,1'-biphenyl]-4,4'-dicarboxylate
title: InChI=1S/C22H17IN2O4/c1-28-21(26)15-5-3-14(4-6-15)19-12-7-16(22(27)29-2)13-20(19)25-24-18-10-8-17(23)9-11-18/h3-13H,1-2H3/b25-24+

description: This dataset contains experimental data from a sample (InChI=1S/C22H17IN2O4/c1-28-21(26)15-5-3-14(4-6-15)19-12-7-16(22(27)29-2)13-20(19)25-24-18-10-8-17(23)9-11-18/h3-13H,1-2H3/b25-24+).
      The datasets from the following experiments are available:
      
      1H NMR
      
      13C NMR
      
      Mass
      
      Mass
      
      IR
DOI: 10.5286/isis.e.rb1720055
title: INS studies of conducting polymers: oligothiophenes and polythiophene

description: Polymeric solar cells are a promising alternative for producing clean and renewable energy due to the possibility of fabricating them onto large areas of lightweight, flexible substrates by solution processing at low cost. In this context, oligothiophenes and polythiophenes are attracting increasing interest because they offer a range of promising properties. The conductivity of the materials is increased by doping with an electron acceptor (iodine is commonly used) and this results in major changes in the infrared and Raman spectra, that blur the spectra because the electronic structure has been drastically modified. Inelastic neutron scattering (INS) spectra are unaffected by such changes and would allow the underlying dynamics to be observed.
DOI: 10.5286/isis.e.rb1720293
title: Meta-orbital transition in CeRh2Si2

description: Magnetic quantum critical points (QCPs) in strongly correlated electron systems, i.e. continuous phase transitions at absolute zero temperature, considerably attract both theorists and experimentalists due to their unusual low temperature behavior strongly deviating from simple metals.  At this experiment we want to verify one of theoretical conception which can explain the nature of quantum criticality - so called meta-orbital transition. Such a transition can occur e.g. as function of pressure from localized behavior at ambient pressure to itinerant 4f states at high pressure. CeRh2Si2 is one of promising candidate for this scenario. This compound has a magnetic QCP at P=1GPa and  at this experiment  we want to follow the quasielastic magnetic response under hydrostatic pressure when approaching the critical regime.
DOI: 10.5286/isis.e.rb1720440
title: Understanding the interfacial behaviour of bile salts to better engineer lipid emulsions: neutron reflectivity measurements

description: The current project aims at elucidating how bile salts (BS) structure influences their interfacial behaviour and their impact on fat digestion. Neutron reflectivity (NR) is the only technique that can provide a detailed molecular picture of the BS/lipids interface, over time and at equilibrium. We have measured the interactions of two distinct BS, sodium taurocholate and sodium taurodeoxycholate, with a lipid film at the air/water interface, using the Langmuir trough and NR techniques. We will be complementing these studies with NR at the oil/water interface, which reflects the actual fat droplet/water interface. We now propose to use NR at the oil/water interface with two glyco-conjugated BS, sodium glycocholate and sodium glycodeoxycholate, to confirm our assumption that BS interfacial behaviour is mostly linked to the bile acid portion, i.e., the position and number of hydroxyl group.
DOI: 10.5286/isis.e.rb1720445
title: Hydrated Surface Confinement Using Tethered Lipid Membranes Under Applied Electric Fields

description: Understanding the forces acting on macromolecular structures at surfaces is vital to a number of different branches of science and engineering, ranging from bio-fouling to surface lubrication. We have recently published a demonstration of a potential next step for the analysis of surface forces and their structural implications, using the semi-permeable nature of charged lipid membranes to directly compress surface bound polymer layers as a function of the applied electrical potential. This is particularly exciting as this is the only approach where confinement can occur in fully hydrated conditions. Therefore, in the scope of this study, we will used polarised neutron reflection on POLREF combined with buried permalloy layers to provide a magnetic reference layer to follow the compression of PEG layers as a function of applied voltage and the grafting density of the polymer layer.
DOI: 10.5286/isis.e.rb1720466
title: High Pressure Driven Spin States in LaCoO3

description: This proposal is concerned with determining variations in the high pressure structure of LaCoO3 and observing changes within this as the material undergoes some well characterised temperature-driven electronic transitions. By driving LaCoO3 through the well known spin state transitions by pressure we aim to:a)	An understanding of the Co-O bond distance and spin states as a function of pressure.b)	Determine the variation in the octahedral tilting of the CoO6 octahedra as a function of pressure.c)	Derive insight into the structural variation, transition temperatures and pressures at the LS-IS-HS transitions  significantly enhancing knowledge of the phase diagram of this important compound.This information is crucial for understanding the nature of spin-state transitions and related phenomena in RCoO3 cobaltates in general.
DOI: 10.5286/isis.e.rb1800024
title: The use of lipid sponge-like nanoparticles as carriers for macromolecules and their interaction with proteins

description: Biological membranes do not only occur as planar bilayer structures, but bilayers have also been shown to, depending onthe lipid composition, curve into intriguing 3D structures. Such curved lipid structures have come to use in many applications, such as in drug delivery, for protein encapsulation or crystallization. In particular so-called cubic phases consisting of curved lipid bilayers which separates two system of water channels, have been studies as they lend themselves to the entrapment of function proteins, like enzymes. Here we consider a particular type of cubic phase with a more flexible structure and larger water channels, namely so-called sponge phases. Our aim is to reveal how two key enzymes in food processing, Aspartic protease (34KDa), and beta-galactosidase (around 460KD) with the lipid matrix. This will help new means for controlling their stability and function.
DOI: 10.5286/isis.e.rb1810120
title: Spin Dynamics of the Elemental Quantum Spin Liquid beta-Mn

description: The beta-phase of manganese metal is the only form which is non-magnetic at all temperatures and has been classified as an elemental metallic quantum spin liquid.  This is thought to be due to the fact that the Mn spins are connected by interlocking 2d Ising triangular planes normal to (111) cubic directions.   However, the spin-correlations in beta-Mn have never been properly measured, since this requires large incident energies with which to cover the massive spin-fluctuation bandwidth.  Previous attempts to measure the full integrated S(Q) on HET were hampered by restrictive detector coverage and low resolution.  We propose here to use the MAPS spectrometer to measure the magnetic S(Q) of pure beta-Mn in order to validate our spin-structure model, derived from single crystal Co-doped samples.  We will require 2 days on MAPS to complete this study.
DOI: 10.5286/isis.e.rb1810530
title: Crystal electric field splitting in the quantum spin liquid candidate NaYbS2.

description: NaYbS2 is yet unexplored material which crystallizes in the delafossite structure with general formula ABX2. The magnetic ions Yb3+ form perfect triangular layers separated by nonmagnetic layers of Na ions. Preliminary thermodynamic characterization shows presence of spin fluctuations according to the Curie-Weiss law with T_CW = -10 K, however no sign of ordering or freezing has been detected down to 0.5 K. By analogy with another Yb-contained material, YbMgGaO4, we believe that NaYbS2 can be considered as a quantum spin liquid candidate.Here we propose to measure polycrystalline sample using thermal neutrons to identify crystal electric field splitting.
DOI: 10.14272/xhghmvvgjolvjp-ocozrvbesa-n/13cnmr
title: 13C NMR (, InChI=1S/C22H17IN2O4/c1-28-21(26)15-5-3-14(4-6-15)19-12-7-16(22(27)29-2)13-20(19)25-24-18-10-8-17(23)9-11-18/h3-13H,1-2H3/b25-24+)

description: dataset for 13C NMR
      
      13C NMR (100 MHz, CDCl3, ppm) δ = 52.4 (CH3), 52.6 (CH3), 98.7 (Cquart.), 117.6 (CHAr), 125.0 (2C, CHAr), 129.1 (2C, CHAr), 129.7 (Cquart.), 130.8 (Cquart.), 130.9 (2C, CHAr), 131.1 (CHAr), 131.7 (CHAr), 138.7 (2C, CHAr), 142.6 (Cquart.), 144.4 (Cquart.), 149.4 (Cquart.), 152.0 (Cquart.), 166.5 (Cquart., COOCH3), 167.0 (Cquart., COOCH3).
DOI: 10.14272/xhghmvvgjolvjp-ocozrvbesa-n/1hnmr
title: 1H NMR (, InChI=1S/C22H17IN2O4/c1-28-21(26)15-5-3-14(4-6-15)19-12-7-16(22(27)29-2)13-20(19)25-24-18-10-8-17(23)9-11-18/h3-13H,1-2H3/b25-24+)

description: dataset for 1H NMR
      
      1H NMR (400 MHz, CDCl3, ppm) δ = 3.97 (s, 3H, CH3), 3.99 (s, 3H, CH3), 7.49-7.55 (m, 4H, CHAr), 7.67 (d, J = 8.2, 1H, CHAr), 7.83 (d, J = 8.3 Hz, 2H, CHAr), 8.11, (d, J = 8.0, 2H, CHAr), 8.22 (d, J = 8.1 Hz, 1H, CHAr), 8.42 (s, 1H, CHAr).
DOI: 10.14272/xhghmvvgjolvjp-ocozrvbesa-n/ir
title: IR (, InChI=1S/C22H17IN2O4/c1-28-21(26)15-5-3-14(4-6-15)19-12-7-16(22(27)29-2)13-20(19)25-24-18-10-8-17(23)9-11-18/h3-13H,1-2H3/b25-24+)

description: dataset for IR
      
      IR (ATR, ṽ) = 2953, 1721, 1607, 1562, 1474, 1434, 1391, 1278, 1209, 1181, 1110, 1051, 1000, 864, 828, 777, 756, 739, 699, 628, 542, 467 cm–1.
DOI: 10.14272/xhghmvvgjolvjp-ocozrvbesa-n/mass
title: Mass (, InChI=1S/C22H17IN2O4/c1-28-21(26)15-5-3-14(4-6-15)19-12-7-16(22(27)29-2)13-20(19)25-24-18-10-8-17(23)9-11-18/h3-13H,1-2H3/b25-24+)

description: dataset for Mass
      
      MS (FAB, Matrix: 3-NBA), m/z (%): 501 (100) [M+H]+.
DOI: 10.14272/xhghmvvgjolvjp-ocozrvbesa-n/mass.1
title: Mass (, InChI=1S/C22H17IN2O4/c1-28-21(26)15-5-3-14(4-6-15)19-12-7-16(22(27)29-2)13-20(19)25-24-18-10-8-17(23)9-11-18/h3-13H,1-2H3/b25-24+)

description: dataset for Mass
      
      HRMS (C22H18127IN2O4): Calc.: 501.0306; Found: 501.0307.
DOI: 10.25919/5ca3e98c15990
title: Parkes observations for project P991 semester 2018OCTS_02

description: Finding radio pulsars orbiting near Sgr A* is a major goal of pulsar surveys with existing telescopes and future telescopes such as the Square Kilometer Array (SKA). The discovery of such pulsars will allow us to measure relativistic effects through timing of pulsars in tight orbits around Sgr A*, to characterise the distribution of dark matter near Sgr A*, to study the stellar population in the GC region and to probe the scattering region around Sgr A*. Although several surveys of the GC region have done, the Ultra-Wideband Low (UWL) receiver provides us a much wider frequency coverage with great sensitivity and therefore it is an excellent chance to revisit the GC region. At around 4GHz, a survey with UWL will achieve a sensitivity significantly higher than previous Parkes and Green Bank surveys, especially for pulsars with short spin periods and high dispersion measures.
DOI: 10.5286/isis.e.rb1720024
title: Micelles of highly branched surfactants at the design limit

description: Results from this experiment will help develop to design 21st century surfactants (better performance with lower environmental consequences) by gaining essential information on how subtle variations in surfactant structure affect self-assembly in micelles, providing further insight into the relationships between surfactant structure, packing and efficiency.
DOI: 10.5286/isis.e.rb1720205
title: INS study on the effect of pressure on the soft transverse optical phonon mode of the quantum critical paraelectric SrTiO3

description: Recent measurements have indicated that the application of hydrostatic pressure to SrTiO3 can be used to tune the system away from a ferroelectric quantum critical point. This is seen in a dramatic suppression of the dielectric susceptibility of SrTiO3 under a modest applied pressure. The dielectric susceptibility is predominantly associated with a particular low energy phonon mode and we will measure the energy of this mode as a function of applied pressure using inelastic neutron scattering.
DOI: 10.5286/isis.e.rb1720226
title: Investigation of the Evolution of Broken Time Reversal Symmetry in Pr1-xNdxOs4Sb12

description: PrOs4Sb12 is a 1.85 K superconductor.  Its superconductivity shows unconventional behavior, and the originating mechanism remains unknown.  One characteristic is an internal magnetic field detected in the superconducting state of PrOs4Sb12, which breaks the time-reversal symmetry and does not appear in conventional type superconductivity.  We have been investigating the effect of ferromagnetism on the unconventional superconductivity of PrOs4Sb12 by substituting Nd for Pr.  This proposal is aiming to use the zero-field muon-spin-relaxation measurements to continuing in monitor the evolution of broken time reversal symmetry in the Pr-concentrated side of the Pr1-xNdxOs4Sb12 system (x = 0.15 and 0.2).
DOI: 10.5286/isis.e.rb1720279
title: The correlation of metallography with neutron diffraction for Indo-Persian arms and armour

description: Our long-term aim is a detailed study of the manufacture of wootz (the so-called Damascus steel)a high-C% cast steel which was very slowly cooled and very carefully forged so as to preserve asurface pattern (of cementite particles) which was a visible indicator of the blades metallurgy.These patterns have often been lost from sight over time, but neutron diffraction will generallyshow up anisotropy in the cementite which indicates a hidden pattern. The extent of anisotropycan vary, for reasons which we are investigating. One factor may be the temperature of forgingwhich converts faceted to globular cementite. We have obtained six wootz fragments upon whichmetallography has already been carried out, and we hope to find out whether there is a correlationbetween the morphology of the cementite and the anisotropy as determined by neutron diffraction.