cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/5k75g2mszw.1
title: Data for: Intertidal and subtidal benthic foraminifera in a flooded cave: Implications for reconstructing coastal karst aquifers and cave paleoenvironments

description: Appendix 1 - Database of sediment textural and geochemical data, biological data, and benthic foraminiferal raw counts in Cow Cave and Deep Blue, Bermuda. Appendix 2 - Taxonomic list of species observed in Cow Cave and Deep Blue, Bermuda.
DOI: 10.5281/zenodo.2554345
title: Evaluation of Envision Rating System for Underground Transportation Infrastructure

description: Credit-by-credit evaluation of the Envision rating system for representative underground transportation projects. Related paper presented at the 2019 International Conference for Sustainable Infrastructure.
DOI: 10.5286/isis.e.rb1510330
title: Measuring the Induced Magnetism in Graphene by Polarised Neutron Reflectivity in a Ni/C/Ni Structure

description: This proposal aims to measure the induced magnetic moment in graphene arising from the proximity effect in the vicinity of ferromagnetic substrates using Polarised Neutron Reflectivity (PNR) measurements at the POLREF endstation at ISIS, STFC. We want to identify and quantify the spin splitting in the carbon lattice by unambiguously determining the induced magnetic moment at various temperatures.
DOI: 10.5286/isis.e.rb1520068
title: Dynamics and phase behaviour of Fullerol using low energy neutron spectroscopy

description: Fullerene and its derivatives have become materials of great technological interest for a number of reasons including their success as electron acceptors in organic photovoltaic cells (OPVs), such as in PCBM. However the possible uses for fullerene derivatives are wide ranging, with Fullerol recently receiving large attention due to its biomedicines and pharmaceutical applications for lower back pain. Despite the proposed diverse applications of fullerenes, as a whole there is still a very little understanding of the structural and dynamical properties of these materials. Understanding this molecule particularly the dynamics near melting point is important for using this for bio-medical application Following a successful investigation on pure PCBM, this proposal seeks beam time to extend our study to  the dynamics and phase behaviour of Fullerol, a novel hydroxylated C60 molecule.
DOI: 10.5286/isis.e.rb1520179
title: Effect of the "host-guest" interactions on the low frequency vibrational dynamics of Gen/beta-CyD and Gen/SBE-beta-CyD inclusion complexes

description: Complexation is of interest in pharmaceutical field, since it increases solubility and bioavailabilityof drugs. We want to perform a inelastic neutron scattering (INS) study, vs. T, of the vibrational dynamics of the inclusion complexes of beta-Cyclodextrin (beta-CyD) and its derivative sulfobutylether-beta-Cyclodextrin (SBE-beta-CyD) with Genistein, an antioxidant phytoestrogen, compared to single components and physical mixtures. The aim is to examine if and how the dynamics of the complexes in the ps-ns timescale is affected by the host-guest interactions, and to probe if there exists a relationship of this dynamics with the stability. The comparative analysis of will also allow to test the access offered by these two macrocycles to Genistein. The results are relevant to tailor the release of drugs with specific properties.
DOI: 10.5286/isis.e.rb1520279
title: Structural behaviour of zinc in low phosphate content glasses for bone cements

description: Bone cements are an important class of biomaterial used in hard tissue surgery as well as periodontology. Many of these are glass-ionomer cements formed from an aluminosilicate glass and a polyacrylic acid. There has been some concern regarding neurotoxicity of aluminium ions in vivo and research is now focussed on alternative materials for the glass component. Zinc phosphate based glasses represent one such alternative. Not only does zinc enhance bioactivity, it is also known to show antibacterial properties. The present study is aimed at establishing the structural role of zinc in candidate glasses for bone cements using reverse Monte Carlo Analysis of diffuse neutron scattering data. These results along with those other methods will be used to give an overall picture of the glass structure and the ability of zinc ions to participate in cement formation.
DOI: 10.5286/isis.e.rb1520295
title: THE IMPACT OF HYDROGEN-BONDING CONTACTS ON THE PROPERTIES OF PROTONIC BINARY MIXTURES OF ALKYLAMMONIUM IONIC LIQUIDS

description: The field of ionic liquids (ILs) is one of the ?hottest topics? with the number of publications still growing exponentially. This is due to the negligible vapour pressure, non-flammability, wide liquid, solubility and miscibility range of most ILs. ILs have been often described as ?designer solvents?, as properties of their ions can be changed to improve the suitability for a given process. The possibility of using IL mixtures has also been taken into account for variation of their properties, for instance, density or viscosity. After the pioneering suggestion that the use of IL mixtures is a way to decrease their melting points to room temperature, they were recently proposed as effective replacements for neat ILs in dye-sensitised solar cells, due to the improved transport processes. Based on acquired experience at ISIS on single ILs, we would now like to study their mixtures.
DOI: 10.5286/isis.e.rb1520398
title: Crystal structure of a new hexagonal layered cobaltate LaBaCoO4+y

description: We have synthesized a new cobalte oxide compound. We know from preliminary measurements that its crystal structure is hexagonal, and that the magnetic behaviour is intriguing. The proposal is to perform powder neutron diffraction to determine the crystal structure precisely, and to search for evidence for magnetic behaviour at low temperature.
DOI: 10.5286/isis.e.rb1600015
title: The structural origins of the ice II anomaly
DOI: 10.5286/isis.e.rb1670565
title: Probing the Superconducting Ground State of Single Crystal Organic Superconductor lambda-(BETS)2GaCl4

description: lambda-(BETS)2GaCl4 is a non-magnetic anion-based organic superconductor SC attracting interest since its Fe analog becomes superconductor by applying 33 T. Both have similar Tc ~5 K. We measured TF and ZF-mSR down to 0.3K in the powder sample. The temperature dependence of the damping rate s(T) of the muon-spin precession related to the penetration depth was investigated in TF= 30 and 60 G. They indicate that SC is not stabilized even at 0.3 K or that there are nodes in the SC gap. We found a possible signature of time-reversal symmetry breaking (TRSB) since we detect slightly enhancement of relaxation rate below Tc in ZF-mSR. For extracting intrinsic & clear result, we are now planning to measure single crystals which can be aligned to make angular dependence measurement possible. We plan to align crystals in order to measure s(T) and TRSB and discuss SC gap symmetry by TF and ZF-mSR.
DOI: 10.5286/isis.e.rb1820037
title: Nanostructure of polysaccharide microgels: From de Gennes' mesh size to the elasticity of in utero gel covering for Spina Bifida

description: Spina Bifida - split spine in Latin - is the most common birth defect with 0.2 % occurrence worldwide. It is due to foetus spine failing to close during the first month of pregnancy, resulting in the exposure of nerves to the amniotic fluid, with permanent consequences affecting both cognitive and psychometric capacities. Our goal is to design, synthesize, and characterise biocompatible microgels based on the bioactive polysaccharide chitosan, which would adhere to the spina bifida opening to form tough and highly flexible protective wound dressing that seals the nerves from the amniotic fluid. We propose a small-angle neutron scattering (SANS) study to investigate the morphology as well as the nanostructure of chitosan-based microgels, as the mesh size is known to be of critical importance for both the macroscopic elastic properties and the cell interactions of the materials.
DOI: 10.5286/isis.e.rb1820060
title: Mixed micelles of nonionic and metallosurfactants (P123/CTAF) as porogens of ferrisilicate mesoporous catalysts

description: Non-ionic/metallosurfactant (P123/CTAF) mixed micelles are used as templates for the hydrothermal synthesis of mesoporous ferrisilicate materials. It was hypothesized that controlling P123/CTAF molar ratio should enable to control the iron loading onto the silica mesopore surfaces. The present study aims to improve understanding of the micellization process of P123/CTAF mixtures as a function of molar ratio. Another interest for studying these micelles is to determine the influence of iron content on the structure of the micelles. The features of the self-assemblies (structure, shape, size) are believed to affect the properties of the resulting silica materials.
DOI: 10.5286/isis.e.rb1820380
title: Magnetic excitations in honeycomb ruthenate Na2RuO3

description: Honeycomb magnets with strong spin-orbit coupling (SOC) are expect to produce exotic magnetic ground states as exemplified by d5 iridates with Jeff = 1/2 state. In d4 case, SOC produces Jeff = 0 states which may interact magnetically via excited Jeff = 1 states. Unconventional magnetic ground states, like spin-liquids, are predicted when the Jeff = 0 states are placed on a honeycomb lattice. We focused on honeycomb ruthenate Na2RuO3 as a possible Jeff = 0 system. In contrast to the previous report, our Na2RuO3 sample, prepared with special care about air-sensitivity, did not show magnetic order down to 2 K, and spin-liquid-like behaviour was seen. There are several scenarios for the nonmagnetic behaviour, such as Jeff = 0 singlet or J1-J2 frustration. In order to reveal the origin of nonmagnetic state, we propose to perform inelastic neutron scattering experiments at MARI and LET.
DOI: 10.5286/isis.e.rb1820632
title: Combining neutron techniques in a study on the earliest large hollow cast bronze statues from ancient Egypt

description: The experiment proposed is part of a larger study on the production of large cast bronze statues in ancient Egypt. Many archaeometallurgical innovations occurred in ancient Egypt, as, for example, the introduction of the lost-wax technique. Therefore, it is of a great interest understanding as many details as possible about how large hollow cast statues were produced in ancient Egypt, to better understand the development of casting techniques in antiquity. ENGIN-X is proposed to be used in combination with IMAT to acquire microstructural information on points of interest that will be highlighted with the neutron images. In particular, it will be used to understand how details of the decoration were produced, the possible original presence of textile and details about the joins and the core material.
DOI: 10.5286/isis.e.rb1910099
title: Unravelling Structural Complexity within a Family of Frustrated S = ½ Kagome Antiferromagnets

description: Quantum spin liquids (QSLs) are exotic states of matter in which magnetic frustration and strong quantum fluctuations destroy long-range magnetic order. Here, we propose to explore the subtle structural distortions in a new family of highly frustrated quantum magnets, Cu4(OD)6FX (X = Cl, Br, I), composed of kagome networks of antiferromagnetically coupled Cu2+ ions, to understand the exchange pathways that lead to magnetic order at TN ~ 15 K. Furthermore, we have established that doping Cu4(OD)6FBr with Zn2+ forms a QSL phase, and so we wish to confirm whether highly Zn-doped analogues of ZnCu3(OD)6FX demonstrate the same series of structural distortions as their undoped counterparts, or if they maintain a higher symmetry at low temperature.
DOI: 10.5286/isis.e.rb1910422
title: Determination of Exact Structural Symmetries in LaFeAs1-xPxO

description: LaFeAs1-xPxO has recently been proposed to display unusual properties as a function of P doping with two distinct superconducting (SC) domes separated by a possible AFM phase as suggested by NMR spectroscopy.  Initial neutron diffraction data obtained over this composition range (0.4 &lt; x &lt; 0.7) failed to reveal the existence of long range magnetic order between the SC domes.  The absence of any obvious physical ground state is difficult to understand especially in a range where superconductivity is clearly suppressed without any apparent driving force!  Recently, we performed preliminary proof-of-principle measurements using muon spin rotation at EMU and neutron diffraction (long data collection time) on WISH and successfully proved the existence of at least two magnetic phases at different P contents. Careful measurements are needed on WISH, HRPD and EMU as described in the proposal.
DOI: 10.5286/isis.e.rb1910620
title: H/D isotope effect on enantiomers: the case of Alanine

description: In the current description of any molecular system based on the Schrodinger equation with a Hamiltonian accounting only  for the electromagnetic forces, the structural properties of enantiomers should be perfectly mirror symmetric. A recent study on D-Alanine claims to have revealed dissimilarities in the structural properties of D-alanine compared with L-alanine. The fact that such a study was conducted only on the deuterated specie of one enantiomer without taking into account the possibility of D/H exchange, give space to questions regarding the revealed dissimilarities. This proposal aims at investigating  the H/D isotope effect on both enantiomers of alanine, using neutron diffraction (both powder and single-crystal) and in-situ Raman spectroscopy.
DOI: 10.5286/isis.e.rb1310022
title: The role of biogenic amines in lipopeptide biofilm formation

description: Pore forming lipopeptides, such as Tolaasin, are produced by pathogenic mushroom bacteria, and are implicated in diseases such as ¿brown blotch¿ disease. They have potential applications as anti-fungal, anti-bacterial, anti-viral molecules, and as anti-cancer agents.  Biogenic agents, such as octopamine, are observed to enhance or suppress biofilm formation in the tolassin expressing bacteria, such as Pseudomonas fluorescens, with significant bio-medical implications. We propose to use NR to investigate the surface adsorption properties of tolaasin in the presence of octopamine, in order to understand the role of their surface adsorption and interaction on  the mechanism of  tolaasin biofilm control.
DOI: 10.5286/isis.e.rb1520020
title: QENS Studies of Diffusion of NH3 Molecules in Porous MOF Materials

description: The development of new porous metal-organic frameworks (MOFs) is receiving considerable attention worldwide owing to their potential for gas storage, separation, and purification. We seek to develop a highly novel ammonia storage system and request 6 days on IRIS to study the diffusion of adsorbed ammonia (NH3) molecules within two functional porous MOFs as a function of gas loading and temperature. The proposed study will reveal the nature of the diffusion of the NH3 molecules; that is of particular interest owing to the very high uptakes exhibited by these MOFs. Furthermore the data obtained from this QENS study will enable the activation energy of the diffusion to be quantified and the geometry of the binding sites to be determined. These studies on the kinetic aspect of the gas adsorption have significant impact on the practical application of this MOF material for gas storage.
DOI: 10.5286/isis.e.rb1520140
title: Elementary excitations in cyclic molecular nanomagnet Fe8Y8

description: A classical example of the toroidal magnetic moment is a ring-shaped vortex distributions of magnetic dipoles. Molecular materials offer rich possibilities for the design of multicentre systems with toroidal magnetization. A heterometallic wheel-like molecular cluster Fe8Y8 was recently synthesized. The dc susceptibility and magnetization measurements show that toroidal magnetic ground state may exist in this system. The aim of the proposed experiment is to use inelastic neutron scattering method to provide important information on the low-lying magnetic states and the exchange interactions between spins in Fe8Y8 as a function of temperature. Besides the spin dynamics, we may also learn the spin structure through short range correlations.
DOI: 10.5286/isis.e.rb1520145
title: High Pressure Neutron Diffraction Study of the Organic-Inorganic Perovskite PbI3(CH3NH3)

description: The organic-inorganic perovsike (OIP) methylammonium lead iodide, MAPbI3, has been identified as a promising candidate for the development of efficient solid-state solar cells. However, our understanding of the structural response of this material to pressure is woefully lacking, despite the importance of such information for the fabrication of electronic devices. We propose to collect single-crystal high pressure diffraction data on MAPbI3 over the 0-4GPa range on SXD. We believe these data will enable us to determine conclusively the crystal structures of three phases of MAPbI3 that are believed to exist, and to elucidate the phase transition mechanisms that operate in this technologically relevant material. Such information is only accessible via neutron diffraction.
DOI: 10.6084/m9.figshare.22621757.v1
title: Additional file 1 of Sample size calculations for indirect standardization

description: Additional file 1. Sample Dataset for Application of Proposed Methodology (data.csv). To protect patient confidentiality, the hospitals providing the example data used in this paper have not given permission for the data to be made publicly available. We have, however, included a limited “fake” version of the dataset. This dataset contains 3 variables - dlp.over indicates whether an exam is “high dose,” sizeC is an ID indicating the combination of anatomic area examined and patient size category, while fac is an ID indicating the hospital the exam was performed in. Information on which ID values are associated with which anatomic areas, patient sizes, and hospital will not be provided, as they are not necessary for the illustration of statistical methods described in the paper. Note that since the dataset made available is different from the dataset used in the paper, the results should be expected to be comparable, but not identical. The software implementing the methods described in this article is available on request from the author.
DOI: 10.6084/m9.figshare.8990234.v1
title: Additional file 6: of Gut microbiome affects the response to anti-PD-1 immunotherapy in patients with hepatocellular carcinoma

description: Table S1. List of significant positive correlations between species and KOs. (XLSX 27 kb)
DOI: 10.6084/m9.figshare.22621757
title: Additional file 1 of Sample size calculations for indirect standardization

description: Additional file 1. Sample Dataset for Application of Proposed Methodology (data.csv). To protect patient confidentiality, the hospitals providing the example data used in this paper have not given permission for the data to be made publicly available. We have, however, included a limited “fake” version of the dataset. This dataset contains 3 variables - dlp.over indicates whether an exam is “high dose,” sizeC is an ID indicating the combination of anatomic area examined and patient size category, while fac is an ID indicating the hospital the exam was performed in. Information on which ID values are associated with which anatomic areas, patient sizes, and hospital will not be provided, as they are not necessary for the illustration of statistical methods described in the paper. Note that since the dataset made available is different from the dataset used in the paper, the results should be expected to be comparable, but not identical. The software implementing the methods described in this article is available on request from the author.
DOI: 10.6084/m9.figshare.22621703
title: Additional file 2 of Aspartate beta-hydroxylase domain containing 1 as a prognostic marker associated with immune infiltration in skin cutaneous melanoma

description: Supplementary Material 2
DOI: 10.6084/m9.figshare.7941896
title: Clinical Significance of Platelet Volume and Other Platelet Parameters in Acute Myocardial Infarction and Stable Coronary Artery Disease

description: Abstract Background: Platelets are important in the initiation of thrombosis, and their morphological and functional changes are closely related with the occurrence and development of coronary artery thrombosis. Platelet parameters might be valuable in distinguishing between acute myocardial infarction (AMI) and stable coronary artery disease (SCAD). Objective: This study was designed to detect and compare changes in platelet parameters, such as mean platelet volume (MPV) in patients with acute myocardial infarction (AMI) and stable coronary artery disease (SCAD) and to investigate their roles in these diseases. Methods: Specimen collection: Between January 2011 and December 2013, 2 mL of elbow vein blood was drawn from each of 31 patients primarily diagnosed with AMI, 34 SCAD patients and 50 healthy subjects; and placed in EDTA-K2 anticoagulant tubes. Platelet count (PLT), MPV, plateletcrit (PCT), platelet distribution width (PDW), white blood cell (WBC) and neutrophil (NEU) counts were determined using an STKS automated hematology analyzer (Beckman Courter). Results: Compared with the control group, MPV levels were significantly higher in the AMI and SCAD groups (p &lt; 0.05), while PLT was significantly lower (p &lt; 0.05). Conclusion: These results suggest that MPV and other related parameters have a certain value in the diagnosis of SCAD and AMI.
DOI: 10.6084/m9.figshare.7941896.v1
title: Clinical Significance of Platelet Volume and Other Platelet Parameters in Acute Myocardial Infarction and Stable Coronary Artery Disease

description: Abstract Background: Platelets are important in the initiation of thrombosis, and their morphological and functional changes are closely related with the occurrence and development of coronary artery thrombosis. Platelet parameters might be valuable in distinguishing between acute myocardial infarction (AMI) and stable coronary artery disease (SCAD). Objective: This study was designed to detect and compare changes in platelet parameters, such as mean platelet volume (MPV) in patients with acute myocardial infarction (AMI) and stable coronary artery disease (SCAD) and to investigate their roles in these diseases. Methods: Specimen collection: Between January 2011 and December 2013, 2 mL of elbow vein blood was drawn from each of 31 patients primarily diagnosed with AMI, 34 SCAD patients and 50 healthy subjects; and placed in EDTA-K2 anticoagulant tubes. Platelet count (PLT), MPV, plateletcrit (PCT), platelet distribution width (PDW), white blood cell (WBC) and neutrophil (NEU) counts were determined using an STKS automated hematology analyzer (Beckman Courter). Results: Compared with the control group, MPV levels were significantly higher in the AMI and SCAD groups (p &lt; 0.05), while PLT was significantly lower (p &lt; 0.05). Conclusion: These results suggest that MPV and other related parameters have a certain value in the diagnosis of SCAD and AMI.
DOI: 10.6084/m9.figshare.8990246.v1
title: Additional file 8: of Gut microbiome affects the response to anti-PD-1 immunotherapy in patients with hepatocellular carcinoma

description: Table S3. Quality control of the sequencing data. (XLSX 19 kb)
DOI: 10.6084/m9.figshare.8990234
title: Additional file 6: of Gut microbiome affects the response to anti-PD-1 immunotherapy in patients with hepatocellular carcinoma

description: Table S1. List of significant positive correlations between species and KOs. (XLSX 27 kb)
DOI: 10.4121/5e40ecd6-98c4-423c-bd1c-d24f0f7a7a59.v4
title: 20211109 20211215 Main deployment - Nearshore - RealDune/REFLEX

description: Nearshore field measurements of the main November - December deployment of the RealDune/REFLEX experiments at the Dutch coast in Autumn/Winter 2021/2022. The lidar and GoPro data are stored separately. This dataset is part of the data collection 'Nearshore coastal measurements of calm, moderate, and storm conditions at two artificial dunes along the Dutch Coast during the RealDune/REFLEX experiments'.