cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.21958/phenotype:388
title: FruitNumber

description: Total number of fruits per plant at the end of reproduction (fruit ripening).
description: Growth chamber set at 16°C 12/12 h photperiod, under semi-hydroponic conditions.
DOI: 10.5286/isis.e.rb1710056
title: Simultaneous Microwave Dielectric Spectroscopy and Neutron Diffraction Measurements of Ammonia Dynamics in Halide Salts

description: Ammonia has been proposed as a high density chemical energy-storage media, which can be safely and reversible stored within low cost saline halides. Here we propose to extend our previous studies on the structural and dielectric properties of ammine halide salts to include variable temperature. In this way we will be able to investigate the dynamics of both exothermic absorption and endothermic desorption. We now request 2 days on POLARIS so that our modified sample environment system may be tested in-situ and to collect simultaneous structural, dielectric and mass spectroscopy data on saline halide materials under variable temperature.
DOI: 10.5286/isis.e.rb1720060
title: Soft hydrogen bonding: how does methanol dock onto olefins and aromatic compounds?

description: Hydrogen bonding (HB) is an ubiquitous interaction. Weak HB (WHB) has long been acknowledged to exist such as: O-H ...... pi cloud, where either the aromatic electron cloud or the double bond in olefins act as HB acceptors. These weak interactions, which are relevant for biochemistry, extraction, pharmacology etc., have been poorly investigated in the past. Recently reports focused on the specific interactions between methanol's hydroxyl group and 1-pentene, highlighting the role of WHB in enhancing the olefine solubility in methanol. Analogously methyl-substituted anisole (MSA) gets preferentially solvated by methanol through  O-H ...... pi interactions. Here we propose to use neutron scattering in order to get access to the structural properties of methanol mixtures with pentene and MSA and clarify how these are influenced by WHB.
DOI: 10.5286/isis.e.rb1810766
title: Locating proteins in curved lipid bilayers

description: Non-lamellar lipid phases are known to play important roles in-vivo and have attracted enormous interest as biocompatible scaffolds in applications form drug delivery to membrane protein crystallisation. Here we aim to locate preferential partitioning of three proteins to the flat and curved (saddle) points within bicontinuous cubic phases respectively. This will be vital to unlocking our ability to exploit the biotechnical potential of these structures.
DOI: 10.5286/isis.e.rb1810843
title: Correlative Imaging of Plant Roots using X-rays and Neutrons

description: Recent advances in tomography have enabled sophisticated approaches to understanding soil and plant relations. The set of biophysicochemical processes occurring at the root/soil interface have a substantial control on plant performance, and understanding and modifying them is key to achieving the goal of future food security. The use of high-resolution and 4D synchrotron computed tomography has recently allowed substantial leaps forward in understanding of nutrient dynamics and soil mechanics at micron scales. However, X-ray tomography provides poor soil/water contrast, and therefore complementary methods such as neutron tomography are required to enable water dynamics around plant roots to be fully elucidated. Ideally, X-ray and neutron tomography would be carried out on the same samples, enabling a very rich description of mineral and water distributions to be produced.
DOI: 10.5286/isis.e.rb1820043
title: Neutron Scattering of coke depsoits on catalysts - TOSCA

description: Catalysts used for water-gas shift reactions, and other important industrial processes, often suffer from deposition of hydrocarbon and carbon species (coking) to reduce their effectiveness. Consequently, catalysts require reactivation/reforming to retain their catalytic activity. The effectiveness of this reforming depends on the type of species deposited and therefore it is very important to determine the nature of the carbon species. However, full determination of the nature of these species is very difficult. Neutron spectroscopy has been shown to be a very successful technique to fingerprint different carbon and hydrogen species on catalysts materials. Inelastic Neutron Spectroscopy (INS) is a useful method for obtaining the information of hydrogenous species (C-H and O-H stretches) within the catalyst matrix.
DOI: 10.5286/isis.e.rb1869014
title: Investigation of cement pore structure evolution in underground repository conditions

description: It is proposed that radioactive waste generated in the Netherlands be buried underground in Boom clay formations. As this will need to be stored for hundreds of thousands of years it is important that the safety functions of the proposed engineered barriers are well understood. The Dutch repository concept utilises several types of concrete with three main functions: containment of waste (as part of the waste canisters), intermediate buffer (as a backfill material) and mechanical support (as part of gallery lining). Concrete contains many pores which can degrade with long term exposure to Boom clay pore water, which will change the permeability and retention of radionuclides in concrete. We are proposing a SANS experiment to measure the pore distribution in fresh samples and samples which have been exposed to major components of the pore water and artificially aged.
DOI: 10.14469/hpc/5410
title: test

description: test
DOI: 10.21958/phenotype:389
title: RGR

description: Relative growth rate (mg d-1 g-1) measured at the inflection point of the growth curve (i.e. half final plant size), using image analysis and modelling.
description: Growth chamber set at 16°C 12/12 h photperiod, under semi-hydroponic conditions.
DOI: 10.21958/phenotype:390
title: rosetteDM

description: Rosette dry mass (mg) measured at the end of the life cycle, at fruit ripening
description: Growth chamber set at 16°C 12/12 h photperiod, under semi-hydroponic conditions.
DOI: 10.21958/phenotype:391
title: GrowthRate

description: Average growth rate during the whole life cycle (final dry mass / lifespan, mg d-1).
description: Growth chamber set at 16°C 12/12 h photperiod, under semi-hydroponic conditions.
DOI: 10.21958/phenotype:392
title: ScalingExponent

description: Measured as first derivative of the scaling relationship between growth rate and plant dry mass.
description: Growth chamber set at 16°C 12/12 h photperiod, under semi-hydroponic conditions.
DOI: 10.5281/zenodo.2624776
title: Murgia Alta: grassland change map (2012-2015).

description: Murgia Alta: grassland change map (2012-2015).

A change map for the land cover class "GRASSLAND" in "Murgia Alta" PA, obtained by the Cross Correlation Analysis algorithm (CCA) [1,2] considering at time T1 the layer "GRASSLAND" from COPERNICUS Service VHR layer dated 2012 and at time T2 a Sentinel-2A image dated August 7th, 2015.

The map was produced at 20 meters spatial resolution and projected in WGS84/UTM33N.

The map has binary values where value 1 indicates pixels changed from GRASSLAND to other whereas value 0 indicates No changed/Not considered pixels.

The Overall Accuracy (OA) of the map was: OA=94.21%±0.10%.

[1] Koeln, G., & Bissonnette, J. (2000). Cross-correlation analysis: Mapping landcover changes with a historic landcover database and a recent, single-date, multispectral image. Proc. 2000 ASPRS Annual Convention, Washington, D.C. (8 pp.).

[2] C. Tarantino, M. Adamo, R. Lucas, P. Blonda. (2016). “Detection of changes in semi-natural grasslands by cross correlation analysis with Worldview-2 images and new Landsat 8 data”, <em>Remote Sensing of Environment</em>, Vol. 175C, pp. 65-72, doi: 10.1016/j.rse.2015.12.031, ISSN 0034-4257
DOI: 10.5286/isis.e.rb1810653
title: Oxidative stress and lipid membrane disruption in bilayers containing polyunsaturated phospholipids

description: Oxidation of lipid membranes is widely known to play a crucial role in many cellular processes and pathological conditions such as apoptosis, inflammation, infection, or sepsis, through direct damage of the cell membrane. Both enzymatic and non-enzymatic oxidation, the latter occurring via direct exposure to reactive oxygen species, are pathways leading to lipid peroxidation in living cells and tissues. The oxidation products have been proposed to function both as signalling molecules and as danger markers for damaged tissue. Oxidative stress has been also implicated in the antimicrobial activities induced by a range of nanomaterials. Here, we aim to characterize the oxidation process of membrane models containing polyunsaturated chains by neutron reflection and to establish the experimental conditions to induce and quantify their oxidation in situ.
DOI: 10.5286/isis.e.rb1820018
title: Volume isotope effect in recovered ice VIII

description: Water is the most fundamental hydrogen-bonded compound on Earth and its physical properties are essential for research areas ranging from live sciences to planetology. In this beamtime request we want to address the issue of the volume isotope effect (VIE) in ice VIII. In ordinary ice (Ih), the VIE is known to be anomalous: The replacement of H2O by D2O leads to an expansion of its volume, in contrast to normal solids where deuteration leads to a contraction of the unit cell volume. First principles calculations predict that ice VIII exhibits a *normal* VIE at 0 GPa, i.e. the behavior of ice Ih may be singular for solid water. We will investigate this fundamental question by determining the structure and thermal expansion of H2O VIII and D2O VIII to high resolution in the range 1.5-120 K. Cm3-size samples of quenched H2O VIII and D2O VIII have already been prepared in our laboratory
DOI: 10.5286/isis.e.rb1820171
title: Investigating the uptake of cyclohexanone oxime in hierarchically-porous catalysts for the Beckmann rearrangement

description: Sustainable technologies for polymer manufacture remain an important target of catalyst research. Thus, we have developed a hierarchically-porous (HP) SAPO (containing interconnected micro- and meso-porous networks) that effects the acid-catalysed Beckmann rearrangement of cyclohexanone oxime to E-caprolactam (the precursor to nylon-6) with enhanced yield and lifetime, relative to the microporous (MP) analogue. Our earlier QENS study has revealed the contrasting mobility of oxime in HP and MP SAPOs, and evidenced substrate-framework interactions in the HP SAPO. In order to gain further insight into the driving force for the interaction between the oxime and HP SAPO, and to inform our previous QENS experiment, we propose to study the adsorption process in HP and MP SAPO-5, and to determine the structure and distribution of the adsorbed oxime within the catalyst pores.
DOI: 10.5286/isis.e.rb1820345
title: Elucidating sodium diffusion mechanisms in layered sodium transition metal oxides

description: Affordable large-scale energy storage systems with improved capacity are crucial to a sustainable energy future, and the great availability of Na in sea water makes Na-ion batteries a very attractive choice for stationary energy storage. A promising class of cathode materials for applications in Na-ion batteries are the layered sodium transition metal oxides, NaMO2 (M = Fe, Co etc.). We set out to generalise our QENS analysis (which already accounts for coherency effects) to mixed coherent and incoherent scatterers, such as Na. NaFeO2 is chosen as a starting point due to its electrochemical activity, simple structure as well as low incoherent scattering contributions from the static lattice. Understanding the diffusion mechanisms in this simple layered material is vital for subsequent successful investigations on more complex systems (containing multiple transition metals).
DOI: 10.5286/isis.e.rb1820600
title: Interaction of Surfactant with Model Lipid Membranes: Influence of Surfactant Hydrophobic Chain Fluidity

description: Skin becomes a target of drug delivery because the transdermal routes are non-invasive, can be self-administrated, improve patient compliance and can provide release for long periods of time. The challenge for transdermal delivery is that only a limited number of drugs are amenable to administration by this route, thus surfactant based drug carries has gained a lot of attention. Here we want to study the interactions between surfactant with different fluidity and model lipid membranes. Understandings of the lipid-surfactant interaction could provide more guidance for the selection of surfactant based drug delivery systems.
DOI: 10.5286/isis.e.rb1820617
title: Coexistence of Magnetism and Superconductivity in Metallo-Molecular Structures

description: Coexistence between the phenomena of superconductivity and ferromagnetism relies on mechanisms such as spin triplet superconductivity. Through spin scattering events, a spin-singlet Cooper pair can be transferred into a spin-triplet pairing. Due to the long diffusion of Cooper pairs we have observed in fullerene thin films , and via the spin ordering emergent at metallo-molecular interfaces we can effect a singlet to triplet conversion in hybrid multilayers and design samples where superconductivity and magnetism are both present. We expect our measurements will confirm the diffusion of Cooper pairs in C60 and the presence of a paramagnetic Meissner effect in Nb/C60/Cu/ C60/Au interfaces.Secondary to this the magnetic profiling of our samples will also help to elucidate the origin and characteristic length of this effect and backup the mSR measurements.
DOI: 10.5286/isis.e.rb1820635
title: Neutron diffraction study of the buckled kagome-lattice Cu3R(SeO3)2O2Cl (R=Yb,Dy)

description: The experimental realization of a S=1/2 kagome lattice has been one of the holy grail of frustrated magnetism because when all antiferromagnetic exchanges cannot be satisfied, a highly degenerate ground state emerges. When quantum fluctuations come into play, this lattice can harbour a quantum spin liquid, in which the spins are highly entangled with one another. We propose to study two compounds from the francisite family, where the kagome lattice is distorted, using neutron diffraction. Due to the distortion and possible competition between ferromagnetic and antiferromagnetic interactions, a complex long range magnetic order, which could give rise to magnetically driven ferroelectricity, may emerge. This proposal should also increase the understanding of the interplay between 4f and 3d cations suggested from ESR in the first report on these compounds.
DOI: 10.5286/isis.e.rb1900006
title: The unusually low zero-point energy of ice II: Critical benchmarking against ice IX

description: Water displays a highly complex phase diagram that is key to a range of critical processes. Using ISIS facilities, we have recently shown that ammonium-fluoride doping leads to the disappearance of the hydrogen-ordered ice II in a selective fashion. This phenomenon can be explained on the basis of the topologically constraint nature of ice II, and the incompatibility of ammonium and fluoride ions with the ordered structure. Consistent with this, it has been shown computationally that ice II has an unusually low zero-point energy. Using the VESUVIO spectrometer, we could recently show that this is indeed the case. However, there is an important benchmark sample which we now need to measure: ice IX which is also hydrogen ordered and has a similar density compared to ice II. These experiments will give new exciting insights into the origins of the complexity of condensed water phases.
DOI: 10.5286/isis.e.rb1900039
title: Exploring the High-Pressure Phase Diagram of the Spin Liquid Candidate TbInO3

description: Spin liquids are an exotic state of matter that hold relevance to future quantum technologies, suchas quantum computing. Recently, there has been a flurry of activity in the study of spin liquids thatmay arise in magnetic materials with highly anisotropic magnetic interactions, such as the Kitaevquantum spin liquid. Unfortunately, experimental realisations of such systems are severely lacking,and so their potentially rich magnetic phase diagrams remain underexplored. A particularlyintriguing challenge is to understand what happens to materials proximate to a Kitaev spin liquidphase at low temperatures under applied pressure. To begin to address this challenge, wepropose to elucidate the high-pressure crystal structure of TbInO3, a candidate spin liquid with anemergent antiferromagnetic honeycomb network of anisotropically coupled Tb3+ ions.
DOI: 10.5286/isis.e.rb1600011
title: Substrate/Film Interface effects on the Magnetic Profile of Ultrathin FeRh Films
DOI: 10.5286/isis.e.rb1620114
title: Probing the effect of carbon chain length of hydrophobically modified polymer on interaction with lattices of different surface chemistries.

description: Competitive interaction exist in many formulations, especially in the case of hydrophobically modified polymers (HMPs), surfactants, and particles of differing surface hydrophobicities. Here we wish to explore the solution structure of HMPs in the presence of a series of particles to probe the relative effects of polymer-polymer association and polymer-particle adsorption. This proposal focusing on binary systems (polymer/particle) should be read in conjunction with two others being submitted in this round where we examine the (other) binary polymer/surfactant system and ultimately, the ternary system; polymer/surfactant/particles.
DOI: 10.5286/isis.e.rb1620218
title: Searching for unconventional superconductivity in non-centrosymmetric ternary half-Heusler semimetals YPtBi and LuPtBi

description: The noncentrosymmetric half-Heusler semimetals RTBi (R=rare earth, T=Pt, Pd) have recently been proposed, according to electronic structure calculations, as plausible 3D topological insulators. The observation of superconductivity in the RPtBi and RPdBi series has added additional richness to these materials that compounds topological aspects of superconductivity and even magnetic order. The absence of inversion symmetry along with parity-violating antisymmetric spin-orbit coupling allows unconventional behaviours such as time-reversal symmetry breaking pairing state. To proof the unconventional superconducting properties of the half-Heusler materials, here we propose to study the magnetic and superconducting properties of RPtBi (R=Y and Lu) by a combination of zero-field and transverse-field µSR measurements. We ask for 6 days of MuSR beamtime for the proposed study.
DOI: 10.5286/isis.e.rb1670550
title: mSR study on ferromagnetic properties of Na-K alloy clusters in zeolite LSX strongly enhanced by high pressure helium gas
DOI: 10.5286/isis.e.rb1700063
title: Neutron Measurements with a double coincidence Telescope Proton Recoil Spectrometer

description: A TPR spectrometer has been designed and first tested at ChipIR in December 2016 to measure the E &gt; 10 MeV neutron spectrum for chip irradiation experiments and validate Monte Carlo calculations. Although the first test showed the scientific value of the TPR technique, it suffered from excessive gamma-ray background. Based on these results, we have revised the instrument design by use of a double coincidence silicon setup to further optimize the signal-to-background ratio. In this run, we aim at demonstrating the benefits of the new design and at providing improved measurements of the neutron spectrum at ChipIR.
DOI: 10.5286/isis.e.rb1710072
title: Development and Control of Residual Stress in Intersections of Large Scale Metal Additive Manufacturing Structures

description: Metal Additive Manufacturing can be used to build smart structural features and parts. Residual Stress and distortion is probably the biggest challenge. Lab-scale parts with simple linear features have recently been investigated more frequently. A common opinion is that thermal stress relieving can eliminate all those residual stresses.However, for the manufacture of real parts, more complex features than linear walls are required. A typical feature in real applications are intersections, which have not been subject to stress measurements yet.This study will investigate the residual stress in intersections compared to single walls and whether thermal stress relieving can eliminate residual stresses.
DOI: 10.5286/isis.e.rb1710323
title: Evolution of the spin wave spectrum in Ca(2-x)Sr(x)RuO4 with x

description: With this experiment we aim to investigate the role of spin orbit coupling (SOC) in 4d transition metal oxides.In previous inelastic neutron scattering experiments on the parent compound Ca2RuO4 we were able to confirm the presence of unusual excitonic magnetism and the importance of SOC in the system (A.Jain, in preparation).Theory (G.Khaliullin, PRL 111, 197201 (2013)) predicts that the delicate interplay of SOC, exchange interaction, Hund's rule, and crystal electric field (CEF) can be influenced easily by changing the lattice distortion. Using external  pressure or chemical substitution, the system can be driven through an quantum critical point (QCP).We propose to investigate the spin wave spectrum of Ca(2-x)Sr(x)RuO4 and its development as the system is driven in the  vicinity of a QCP depending on the chemical substitution level of x.
DOI: 10.5286/isis.e.rb1720316
title: Glassy dynamics in a model-system: the monoclinic phase of tetrachloromethylxylene, TCMX (C6Cl4(CH3)2)

description: Many features commonly exhibited by canonical glass-formers can also be found in systems exhibiting translational long-range order.  Orientationally disordered-crystals  (or plastic-crystal phases) which show a long-range lattice formed by the molecule centers of mass whereas molecular orientations are randomized are one of such categories.  Some examples of such materials are the monoclinic low temperature phases of CBrnCl4-n molecules (n= 0, 1, 2), the low-temperature phases of some adamantane derivatives, or some benzene derivatives. In this latter case, disorder originates from different occupancies of some atoms at different sites. Here we propose to carry out a neutron study on the dynamical processes taking place  in the disordered monoclinic phase of tetrachloromethylxylene, TCMX (C6Cl4(CH3)2).
DOI: 10.5286/isis.e.rb1800037
title: Structure and gelation of poloxamer based hydrogels for injectable drug delivery

description: We seek to develop hydrogel formulations for injectable controlled drug delivery from Pluronics to enhance patient compliance, decrease side effects and reduce dose and frequency. Pharmaceutically, these systems are attractive due to their unique sol-gel phase transition in the body, biocompatibility and safety and are injected as solutions before transforming to gel matrices at body temperature. Pluronic F-127 is a block copolymer (PEO-PPO-PEO) that gels at low concentrations and can be tuned using other excipients. These experiments will quantify, for the first time, structural changes of concentrated F-127 systems mixed with a control drug and additives under controlled temperature after combined shear and extensional flow as experienced during real bodily injection. Correlating these changes to drug release will allow us to optimise novel injectable pharmaceutical formulations.