cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/vfpy3w6yn3.1
title: The Ag-Li system’s experimental and ab initio thermodynamic dataset

description: The Ag-Li system was analyzed using first-principles calculations 10.1016/j.jallcom.2019.152811 [1]. The method included using density functional theory to optimize the crystal structure of the phases constituting the binary phase diagram by relaxing atomic positions, volume, and shape. The optimized structures were subsequently used to calculate thermodynamic properties at different temperatures; by determining the zero-point energy, the vibrational internal energy, and the entropy, the heat capacity at constant volume was obtained as well as the phases’ stability limits. Furthermore, optimized structures were used to calculate the XRD patterns and to compare them with experimental data. All the referred data are now accessible to researchers and industrials demanding to work with binary and higher-order systems that include Ag and Li, for example, for energy storage. Binaries should be well assessed prior to higher-order phase diagrams and in that resides additional usefulness to this data.
DOI: 10.17632/2b28sr4mm3.3
title: Videos-3D regional forgery detection
DOI: 10.17632/gz45kkkfrg.1
title: Data Tables

description: Table 1. Table showing composition of Forsterite based on EPMA point analysis. Table 2. Isotopic data obtained from the analysis of carbonatites of Sung valley, Meghalaya. The standard deviation for δ13C and δ18O is ± 0.1‰. Isotopic ratios of stable isotopes of C and O. Table 3. Rare earth elements concentration of Sung Valley carbonatites, analysed by ICP-MS (rare earth elements in ppm).
DOI: 10.17632/hbv7pg45mz.1
title: ASEAN Total Primary Energy Supply (in KTOE)

description: Total Primary Energy supply from ASEAN member countries
DOI: 10.17632/jz42th6t4t.1
title: Techno stress and Coping strategies

description: Techno Stress and Coping Strategies
DOI: 10.5519/qd.9z8he7oa
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (25 records)
DOI: 10.7910/dvn/uw4x4t/entkfd
title: 3k_profiles.tar.gz

description: Reference profiles for 3K SNP mixtures
DOI: 10.5281/zenodo.3542086
title: S25 | OECDPFAS | List of PFAS from the OECD

description: This is the collection associated with list S25 OECDPFAS on the NORMAN Suspect List Exchange. https://www.norman-network.com/?q=suspect-list-exchange S25 OECDPFAS <strong>List of PFAS from the OECD</strong> OECD PFAS Original List (20/06/2018)<br> OECD PFAS CompTox XLSX (22/01/2019)<br> CompTox PFASOECD List OECD PFAS CompTox InChIKeys (22/01/2019) A list of PFAS released by the OECD, provided by Zhanyun Wang. Details in this OECD Monograph. Extensive registration and curation performed by CompTox Dashboard team (see CompTox files). Nov 14 update: added CSV
description: For more details and authorship information see OECD Monograph
DOI: 10.7910/dvn/uw4x4t/0eo867
title: profiles.tar.gz

description: Reference profiles for 39K SNP mixtures
DOI: 10.7910/dvn/uw4x4t/6y8gcw
title: 3k_mixtures.tar.gz

description: 3K SNP defined mixtures of 2 to 5 Estonian contributors
DOI: 10.7910/dvn/uw4x4t/a58hgk
title: mixtures.tar.gz

description: 39K SNP defined mixtures of 2 to 5 Estonian contributors
DOI: 10.17632/z87zpctgbs.1
title: Data for: Getting closer: synchronous interpersonal multisensory stimulation increases closeness and attraction toward an opposite-sex other.

description: The analyses were conducted on data presented in tabs labelled "Experiment 1" and "Experiment 2". Details of agreement ratings on the different items of the enfacement illusion questionnaire are provided in the other tabs.
DOI: 10.17632/gwmbsmsxwd.1
title: The effect of successive uniaxial and biaxial cyclic loading on the fracture resistance of limestone samples

description: The results of experiments with two samples of limestone of the Kasimovskoye deposit (Russia) are discussed. The purpose was to compare their resistance to fracture under cyclic quasi-static loadings under compression in one or two directions. Acoustic emission (AE) was recorded during cycles. Between the series, the velocities of longitudinal and transverse elastic waves, and acoustic quality factor Q were measured. The destructive effect was evaluated using the damage parameter ω. The studies showed that deformation of the sample in two directions leads to greater damage, but reduces the strength of the limestone to a lesser extent than the cyclic load in one direction. Cracks formed in the biaxial action of one direction impede the development of cracks in another direction. This mechanism explains the indicated phenomenon.
DOI: 10.17632/tx5gv8ndt3.1
title: Raw data. Unraveling the expansion mechanism in lightweight aggregates: demonstrating that bloating barely requires gas
DOI: 10.17632/jd767pmt6m.1
title: Data of the study of Abelmoschus Manihot in treating type 2 diabetic non-proliferative retinopathy

description: It was a randomized controlled clinical trial. The recruited 60 subjects with type 2 diabetic non-proliferative retinopathy were randomly divided into treatment group and control group which were both received basic treatments including control of blood glucose, blood pressure and blood lipid, management of diet, exercise and health education, and monitoring of relevant indicators, etc. Additionally, the treatment group was given oral proprietary medicine of Abelmoschus Manihot. All subjects were followed up monthly for consecutive 6 months. The related indicators including DR incidence rates, ETDRS vision scores, retinal thicknesses in macular region, serum VEGF levels, biochemical indicators, etc of the two groups before and after treatment were accurately collected and statistically analyzed.
DOI: 10.5286/isis.e.rb1910325-2
title: Dynamics of yeast lipid membranes

description: A cell membrane can contain hundreds of different lipid molecules, but our understanding of the dynamics of cell membranes is very limited. As a result of a collaboration between the ILL and ESS on the deuteration of lipids from cell cultures, we can now produce 100s of milligrams of lipid extracts from yeast and other microbial cell cultures, sufficient for neutron spectroscopy studies of their dynamics. We recently carried out the first QENS experiment on IN16B at ILL to investigate the ns dynamics of total lipid extracts from P. pastoris yeast, and found that their average molecular dynamics are considerably faster than single lipid membranes such as DMPC, and could not be observed on the timescale probed by IN16B. We now propose to continue our investigation on IRIS to probe faster dynamics that should allow a comparison to DMPC and the polyunsaturated lipid PLPC.
DOI: 10.5286/isis.e.rb1920259
title: structure of surfactant-free microemulsion as the L-L equilibirum line is approached

description: A surfactant-free microemulsion is ternary system consisting of two completely miscible molecular liquids and a third one that is only highly soluble in or miscible with one of these two other liquids. These solutions are excellent solubilizers and candidates in terms of formulation for green chemistry. The microemulsions are stabilized thanks to the repulsion mechanism induced by the hydration force at the interface and no addition electrical charges are required. The system of interest is composed of Octanol/Ethanol/Water. In this system several length scales are of importance, the size of the micelle, their distance,and the H-bond network involved where the 3 molecules act differently; accordingly the structural contributions of the 3 molecules will be considered with different deuteration along one composition line as the L-L equilibirum line is approached.
DOI: 10.5286/isis.e.rb1920259-1
title: structure of surfactant-free microemulsion as the L-L equilibirum line is approached

description: A surfactant-free microemulsion is ternary system consisting of two completely miscible molecular liquids and a third one that is only highly soluble in or miscible with one of these two other liquids. These solutions are excellent solubilizers and candidates in terms of formulation for green chemistry. The microemulsions are stabilized thanks to the repulsion mechanism induced by the hydration force at the interface and no addition electrical charges are required. The system of interest is composed of Octanol/Ethanol/Water. In this system several length scales are of importance, the size of the micelle, their distance,and the H-bond network involved where the 3 molecules act differently; accordingly the structural contributions of the 3 molecules will be considered with different deuteration along one composition line as the L-L equilibirum line is approached.
DOI: 10.5286/isis.e.rb1920494
title: Small Angle Neutron Scattering Measurement of Precipitation in 17-4PH Martensitic Stainless Steel

description: This work aims to understand the precipitation behaviour of nanoscale precipitates in 17-4PH grade martensitic stainless steel as a function of aging time and temperature.17-4PH is used in safety critical components in the chemical, oil and gas and nuclear industry but has driven concerns over the long term stability of the precipitate population. We propose to investigate the evolution of these precipitates using small angle neutron scattering (SANS) on a series of thermally aged samples. The information obtained from SANS, would be used to further understand the strengthening mechanism in steels and also to develop a nondestructive technique (NDT) using magnetic Barkhausen noise for detecting precipitate evolution and embrittlement in nuclear structural components as part of our involvement in the EU NOMAD horizon 2020 which aims at long-term operation of existing nuclear power plants.
DOI: 10.5286/isis.e.rb1920494-1
title: Small Angle Neutron Scattering Measurement of Precipitation in 17-4PH Martensitic Stainless Steel

description: This work aims to understand the precipitation behaviour of nanoscale precipitates in 17-4PH grade martensitic stainless steel as a function of aging time and temperature.17-4PH is used in safety critical components in the chemical, oil and gas and nuclear industry but has driven concerns over the long term stability of the precipitate population. We propose to investigate the evolution of these precipitates using small angle neutron scattering (SANS) on a series of thermally aged samples. The information obtained from SANS, would be used to further understand the strengthening mechanism in steels and also to develop a nondestructive technique (NDT) using magnetic Barkhausen noise for detecting precipitate evolution and embrittlement in nuclear structural components as part of our involvement in the EU NOMAD horizon 2020 which aims at long-term operation of existing nuclear power plants.
DOI: 10.5286/isis.e.rb1920629
title: Neutron diffraction study of A-site deficient hydrated Perovskites

description: Transition metal ions can be easily introduced in the B-site of perovskites with general formula ABO3 and exsolved on their surfaces upon reduction, to enhance the catalytic properties in energy applications such as solid oxide cells. Based on the stoichiometries we explored so far, we have good experimental evidence to believe that Ni2+ ions could also be substituted on the A-site of hydrated CaTiO3 and then exsolved upon reduction. Formation of unusual non-stoichiometries with a large proportion of A-site deficiency would be associated with the incorporation of hydroxyl ions in the perovskite structure, and the hydration enhanced proton conductivity. Neutron diffraction study will deepen our understanding of the substitution mechanisms and indeed the indications of protonic conduction allowing for a better design and tailoring of new catalysts and energy materials.
DOI: 10.5286/isis.e.rb1920629-1
title: Neutron diffraction study of A-site deficient hydrated Perovskites

description: Transition metal ions can be easily introduced in the B-site of perovskites with general formula ABO3 and exsolved on their surfaces upon reduction, to enhance the catalytic properties in energy applications such as solid oxide cells. Based on the stoichiometries we explored so far, we have good experimental evidence to believe that Ni2+ ions could also be substituted on the A-site of hydrated CaTiO3 and then exsolved upon reduction. Formation of unusual non-stoichiometries with a large proportion of A-site deficiency would be associated with the incorporation of hydroxyl ions in the perovskite structure, and the hydration enhanced proton conductivity. Neutron diffraction study will deepen our understanding of the substitution mechanisms and indeed the indications of protonic conduction allowing for a better design and tailoring of new catalysts and energy materials.
DOI: 10.5286/isis.e.rb1968014
title: Probing the spin dynamics in Griffiths phase and spin glass-like phase of La0.85Sr0.15CoO3

description: LaCoO3 and A-site Sr doped LaCoO3 have been an intense research area in recent days due to their complex magnetic phase diagram and another additional degree of freedom, spin-state transition of Co ion. In earlier reports, people claimed the presence of magnetic clusters above the ordering temperature (Tc) in La(1-x)SrxCoO3 for x being above 0.20, although it does not exhibit the characteristic feature of Griffiths phase. In contrast, for x = 0.15, we have observed the presence of magnetic clusters by magnetic and SANS measurement and this shows the typical signature of Griffiths phase. We are keen to explore the spin dynamics in Griffiths phase and spin-glass like phase of La0.85Sr0.15CoO3 by using µSR technique.
DOI: 10.5286/isis.e.rb1968014-1
title: Probing the spin dynamics in Griffiths phase and spin glass-like phase of La0.85Sr0.15CoO3

description: LaCoO3 and A-site Sr doped LaCoO3 have been an intense research area in recent days due to their complex magnetic phase diagram and another additional degree of freedom, spin-state transition of Co ion. In earlier reports, people claimed the presence of magnetic clusters above the ordering temperature (Tc) in La(1-x)SrxCoO3 for x being above 0.20, although it does not exhibit the characteristic feature of Griffiths phase. In contrast, for x = 0.15, we have observed the presence of magnetic clusters by magnetic and SANS measurement and this shows the typical signature of Griffiths phase. We are keen to explore the spin dynamics in Griffiths phase and spin-glass like phase of La0.85Sr0.15CoO3 by using µSR technique.
DOI: 10.5286/isis.e.rb1920467
title: Operando study of SEI formation using different electrolytes

description: During the first cycle of an alkali battery, a passivation layers forms on the electrode surface called the solid electrolyte interphase (SEI), which can grow upon further cycling. This is believed to be related to the significant first-cycle capacity loss observed in disordered carbon electrodes in both alkali ion batteries. We wish to investigate the influence of changing the electrolyte from carbonate-based to ether-based on subsequent SEI formation and growth, providing a real-time verification of various ex situ studies. Understanding the nature of SEI growth is extremely important in the search for better batteries.
DOI: 10.5286/isis.e.rb1920467-1
title: Operando study of SEI formation using different electrolytes

description: During the first cycle of an alkali battery, a passivation layers forms on the electrode surface called the solid electrolyte interphase (SEI), which can grow upon further cycling. This is believed to be related to the significant first-cycle capacity loss observed in disordered carbon electrodes in both alkali ion batteries. We wish to investigate the influence of changing the electrolyte from carbonate-based to ether-based on subsequent SEI formation and growth, providing a real-time verification of various ex situ studies. Understanding the nature of SEI growth is extremely important in the search for better batteries.
DOI: 10.5286/isis.e.rb1920507
title: Intergranular strain formation in Nickel based superalloys close to the yield point.

description: Nickel based superalloys retain high strength up to high temperatures and are therefore often used in gas turbines. Here, hardening mechanisms and their respective supersessions are investigated in order to better predict phenomena like dynamic strain ageing, creep and yield point shape. Neutron diffraction for intergranular strain determination at the onset of plastic deformation in the Nickel based superalloy Haynes 282 displays strong, unexpected features, which are assumed to be associated with segregations of substitutional solute atoms to dislocations and influence the shape of the yield point. Goal of this experiment is falsifying or quantifying this hypothesis for Haynes 282 at room temperature, which will provide input into the micromechanical modelling approaches of related materials and phenomena present at higher temperatures.
DOI: 10.5286/isis.e.rb1920507-1
title: Intergranular strain formation in Nickel based superalloys close to the yield point.

description: Nickel based superalloys retain high strength up to high temperatures and are therefore often used in gas turbines. Here, hardening mechanisms and their respective supersessions are investigated in order to better predict phenomena like dynamic strain ageing, creep and yield point shape. Neutron diffraction for intergranular strain determination at the onset of plastic deformation in the Nickel based superalloy Haynes 282 displays strong, unexpected features, which are assumed to be associated with segregations of substitutional solute atoms to dislocations and influence the shape of the yield point. Goal of this experiment is falsifying or quantifying this hypothesis for Haynes 282 at room temperature, which will provide input into the micromechanical modelling approaches of related materials and phenomena present at higher temperatures.
DOI: 10.5286/isis.e.rb1920546
title: Investigation of membrane polymer complex using SANS

description: The interaction between lipid vesicles and macromolecules, like polymers is of intense importance from both theoretical and practical point of view. On one hand lipid vesicles can successfully mimic cell membrane on the other hand only on understanding the effect of polymer-lipid interaction one can control the mechanism and degree of polymer encapsulation in passive (no active chemical trigger) in a drug delivery (cargo). But such fine-tuning is only possible on changing the hydrophobic: hydrophilic balance (H) and number density (n) of the polymer. The effect of which can be directly visible in the change in the structure of the lipid-bilayer. Therefore, here we aim at understanding the change in membrane structure caused by such membrane-polymer interaction. The finding may represent an important aspect for further understanding of the effects related to the polymer biocompatibility.
DOI: 10.5286/isis.e.rb1920546-1
title: Investigation of membrane polymer complex using SANS

description: The interaction between lipid vesicles and macromolecules, like polymers is of intense importance from both theoretical and practical point of view. On one hand lipid vesicles can successfully mimic cell membrane on the other hand only on understanding the effect of polymer-lipid interaction one can control the mechanism and degree of polymer encapsulation in passive (no active chemical trigger) in a drug delivery (cargo). But such fine-tuning is only possible on changing the hydrophobic: hydrophilic balance (H) and number density (n) of the polymer. The effect of which can be directly visible in the change in the structure of the lipid-bilayer. Therefore, here we aim at understanding the change in membrane structure caused by such membrane-polymer interaction. The finding may represent an important aspect for further understanding of the effects related to the polymer biocompatibility.
DOI: 10.5286/isis.e.rb1920612
title: Dynamical characterization of a new multicomponent membrane (gCN/PTI mixed with Nafion) for energy applications.

description: Proton exchange membranes are essential components of devices where is required to transport H+ while blocking the flow of other ions and molecules used as reactants. The most common ionomeric material is Nafion, which has excellent H+ conductivity, despite having poor selectivity against other ions and small molecules. It is been found that introducing ~1% gCN (graphitic carbon nitrides) into Nafion/SPEEK membranes enhances H+ conduction. We propose to use neutron scattering to investigate the effects of gCN materials co-deposited with Nafion on the H+/H2O transport properties that will be correlate with membrane structure that will be correlate. Our studies will provide a first direct evaluation of the effects of GO and gCN/PTI 2D nanomaterials incorporated in ionomer membrane structures for fuel cell and other energy conversion/storage applications.
DOI: 10.5286/isis.e.rb1920612-1
title: Dynamical characterization of a new multicomponent membrane (gCN/PTI mixed with Nafion) for energy applications.

description: Proton exchange membranes are essential components of devices where is required to transport H+ while blocking the flow of other ions and molecules used as reactants. The most common ionomeric material is Nafion, which has excellent H+ conductivity, despite having poor selectivity against other ions and small molecules. It is been found that introducing ~1% gCN (graphitic carbon nitrides) into Nafion/SPEEK membranes enhances H+ conduction. We propose to use neutron scattering to investigate the effects of gCN materials co-deposited with Nafion on the H+/H2O transport properties that will be correlate with membrane structure that will be correlate. Our studies will provide a first direct evaluation of the effects of GO and gCN/PTI 2D nanomaterials incorporated in ionomer membrane structures for fuel cell and other energy conversion/storage applications.
DOI: 10.5286/isis.e.rb2000061
title: Demonstration of the elementary cell of a new compact neutron collimator

description: The INFN-Italy ANET collaboration developed a new design of neutron collimator that should be capable of greatly reducing the distances needed to collimate thermal neutron beams to the levels needed for most neutron inspection analysis and neutron science applications. A typical L/D value of 1000 could be achieved with a 2.5 meter long structure. If successfully tested, the innovating potential of this new collimator design for neutron science is very high. Facilities such as ISIS, ESS SNS, J-PARC would greatly benefit from it. The measurement will consist in the intensity analysis, with respect to the spatial coordinates, of the transmitted neutron signal through a typical elementary cell of this new collimator design.
DOI: 10.5286/isis.e.rb1920157
title: Structural evidence from SANS on self-assembly of antimicrobial lipopeptides and their interactions with small unilamellar vesicles

description: Previous studies have demonstrated that the de novo designed antimicrobial lipopeptides can self-assemble to beta-sheet nanofibers, but can transform to alpha-helical monomers once interacting with the anionic bacterial membranes. Following the above work, we propose to investigate the structural evidence of the self-assembly of lipopeptides by using small angel neutron scattering (SANS) to characterise the nanofibers before and after interactions with small unilamellar vesicles (SUVs). This work will provide valuable molecular insight of modes of action of the the lipopeptides to different model membranes.