cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15151/esrf-es-925377133
title: Structural Biology of Macromolecules and Macromolecular complexes from India

description: Structural biology research groups located in India constitute the INDIA-BAG and will utilize MX & SAXS to study different biological macromolecules. The non-proprietary agreement signed between ESRF and the Department of Biotechnology (DBT) enables studies that provide fundamental mechanistic insight regarding different biological processes. A brief description of over 50 research groups is provided in the global summary and a summary of their research contributions involving data collected at ESRF is provided in the 2 year BAG report. The ESRF-India partnership is supported by a single grant provided to the RCB by the DBT. Please note that a report listing no. of shifts utilized, details of users and the research output from these visits has to be sent to the DBT to obtain release of funds to pay ESRF membership dues. Consequently, all the structural biologists from India are grouped in a single BAG to enable monitoring of progress to collect the required statistics.
DOI: 10.15151/esrf-es-928399086
title: ITABAG: 3D structures of macromolecules related to human health

description: The ITABAG includes structural biologists from Universities, the National Research Council and Hospital research centres in Italy. The laboratories take advantage of single crystal and small angle X-ray diffraction methods to study the structure-function relationships in various macromolecules. A unifying factor for the vast majority of the macromolecules under study is that they are related to human health, either directly, being human proteins involved in some disease, or indirectly, as proteins expressed by human pathogens and validated as potential pharmacological targets. Other projects investigate basic chemical processes, such as crystal growth, or aim at characterising macromolecules with potential biotechnological applications.
DOI: 10.15151/esrf-es-1013753951
title: Scanning 3DXRD of a YSZ pillar

description: Collect a 3D grain map of a FIB pillar of Yttria Stabilised Zirconia
DOI: 10.15151/esrf-es-1014530074
title: Total scattering of oxides

description: Total scattering of oxides
DOI: 10.15151/esrf-es-937814929
title: A spatially resolved study by µ-XRF and µ-XANES spectroscopy at S K-, Cu K- and As K-edges to understand the degradation process of copper a

description: This proposal aims at deepening understanding the complex discoloration issue of emerald green and Scheele’s green paints (hereafter called “EM” and “SH”, respectively) affecting late 19th c.-early 20th c. oil paintings. µ-XRF mapping and µ-XANES spectroscopy at S K-, Cu K- and As K-edges will be exploited to perform a spatially resolved study of EM and SH oil paint systems before and after exposure to controlled conditions of light, humidity and temperature. Such analyses will permit to define how the pigment formulation, the binding medium and environmental agents trigger EM and SH degradation processes.
DOI: 10.15151/esrf-es-965441176
title: Time-resolved SAXS studies during reverse sequence polymerisation-induced self-assembly

description: We wish to perform time-resolved SAXS (TR-SAXS) studies to characterise the evolution in copolymer morphology during each of the two stages of a highly counter-intuitive new synthetic route to diblock copolymer nano-objects which we term reverse sequence polymerisation-induced self-assembly (PISA). This powerful characterisation technique will complement our very promising initial TEM, DLS, electrophoresis and GPC data and is expected to underpin a high-profile publication on this topic.
DOI: 10.15151/esrf-es-965441641
title: Metallocenes at extremes: X-ray diffraction studies of nickelocene and its transformations under high pressure

description: Metallocenes are the family of MCp2 (where M - metal ion and Cp - cyclopentadienyl ring,) compounds that have been serendipitously discovered about 70 years ago and ignited a new branch of chemistry: organometallics. Although its first-synthesized, most stable and most well-known representative, ferrocene, has been thoroughly investigated over decades, its phase diagram and pressure behaviour have been only recently explored. Nickelocene is one of the isostructural analogues of ferrocene. Although, resembling ferrocene molecular and crystal structure, it does not comply with 18-electron rule, which in consequences gives huge instability of the system, structurally manifested in a significant elongation of metal–cyclopentadienyl ring organometallic bonds. We would like to explore pressure-driven transformations and reactivity of nickelocene. Due to the relatively large instability of nickelocene, we also expect its higher reactivity under pressure when exposed to high pressure.
DOI: 10.15151/esrf-es-1005233991
title: Resonant diffraction on Fe doped CuO nanostructures

description: Magnetic semiconducting thin films with high coercive field and remanence at room temperature are of primary importance for spintronic applications. We will use x-ray resonant diffraction to study the substitutional Fe doping of monoclinic CuO islands in epitaxy on SrTiO3(001). RXD, measured at the Fe K edge, allows to quantify the occupancy rate of the two cations on a same crystallographic site. At the same time GIXRD will allow to exclude the presence of spurious phases.
DOI: 10.15151/esrf-es-962081012
title: Carbon in the core: sound velocities of the Fe7C3 carbide at extreme conditions

description: The experiment aims to investigate the density, the elastic and thermodynamic properties of the Fe7C3 carbide at pressures above 300 GPa and temperatures of thousands of degrees utilizing the Nuclear Inelastic Scattering (NIS) technique and powder X-ray diffraction. NIS is a powerful tool for studying lattice dynamics that provides a full thermodynamic sample characterization. The measured phonon density of states provides the Debye phonon average velocity (VD), which together with density and bulk modulus, determined by complementary X-ray diffraction measurements, are the necessary parameters for calculating the compressional velocity (VP) and shear velocity (VS) of the material. Our measurements will allow refining the carbon required to explain the observed seismic profile of the Earth’s core.
DOI: 10.15151/esrf-es-964150032
title: Investigation of substoichiometric inorganic halide perovskite powders for accelerated deposition

description: The aim of this project is to investigate the evolution of the crystallographic phase and detailed coordination environment of non-stochiometric inorganic halide perovskite powders upon heating under high vacuum (&lt;10-6 mbar), mimicking the conditions during deposition by thermal evaporation. The powders will contain varying CsBr to PbI2 ratio (ball-milled admixtures of CsBr and PbI2) forming sub-stochiometric CsyPb(I2Bry)2+y. The aim of the envisaged experiments is to understand the transformation of the powders when exposed to the conditions they are used in the fabrication of halide perovskite thin-films (i.e. heated under high-vacuum).
DOI: 10.15151/esrf-es-964152559
title: Structural organisation of artificial water channels

description: We propose to use GISAX and X-ray reflectometry measurements to characterise the structural organisation of artificial water channels in a planar lipid bilayer formed by a set of molecules (I-quartet imidazole) that have demonstrated to have high transport potentiality and ionic selectivity. These molecules aim to mimic natural aquaporine-like behaviour, and have strong technological potentiality in the field of water purification, for example. The experiments are intended to support and complement the past experimental and computational characterisations. The ultimate goal is to unveil the correlation among the fine structural in-membrane organisation and transport properties in order to understand the microscopic mechanism of water flow. Such an understanding will favor further chemical design and optimisation of these novel artificial water channels.
DOI: 10.15151/esrf-es-964153913
title: Geometric frustration controlled morphogenesis of protein crystals

description: Solid assemblies of organic compounds often include some inevitable misfit between constituents, giving rise to geometric frustration. In order to fit into the assembly the molecular building blocks must distort. In many cases, for small enough assemblies there are non-local compromises that are more energetically favourable. These are associated with non-uniform distortions and highly cooperative response between the constituents. This may result in tendency to form filaments, lattice distortions and large morphological variations during the growth of the assembly. In the proposed experiment, we will follow the morphological evolution and branching of slender protein single crystals formed by a living organism. This will not only provide the first experimental evidence to geometric frustration in protein crystals, but will also demonstrate the role of spontaneous processes in biological tissue formation. We aim to provide a toolkit for controlled branching of macromolecular crystals.
DOI: 10.15151/esrf-es-937815019
title: Hierarchical Tomography of Automotive Format Li-ion Batteries: imaging studies for the electrode to the module level

description: We propose to study the effect of orientations-gravity on the ageing of Li-ion battery with extremely large size and heavy weight from an electric vehicle (EV) using Hierarchical Phase-Contrast Tomography (HIP-CT) at the new BM18. Our key objective is performing non-destructive, 3D tomographic-scans with hierarchically increasing resolution at key locations in each cell. The HIP-CT will provide an opportunity to obtain a structural overview of the cell module at medium resolution (16 µm) followed by multiple higher-resolution volumes of the electrode (down to 0.6 µm), overcoming the common ‘spatial-scale barrier’ in common CT systems and therefore, bridging the link between the module, cell, electrode and particle level within an intact large format Li-ion cell for the first time. HIP-CT will help in evaluating the state-of-health, and define a new approach to access whether a high-resolution region is representative of the entire Li-ion pouch.
DOI: 10.15151/esrf-es-962077516
title: Copper incorporated silica aerogels for methane activation

description: The stepwise oxidation of methane to methanol is of great interest to the scientific community due to being a promising method to upgrade methane to high-value chemicals as well as providing a possible solution to the environmental concerns that arise from methane flaring. The reaction typically proceeds through three steps: activation of the system by oxidation, methane reaction, and extraction of the produced methanol with steam, where typical systems include various copper-ion-exchanged microporous zeolites. Recently, some studies have ventured beyond the need for a zeolitic support and have experimented with copper supported on less acidic and mesoporous structures such as SBA-15 and amorphous silica as viable systems for methane activation. Here, we wish to investigate the performance of copper as an active site for methane activation when it is incorporated into a silica aerogel framework that does not contain strong acid sites
DOI: 10.15151/esrf-es-962080191
title: Application for BAG beam time at ESRF

description: We propose to establish a new community-driven mode of access dedicated to the study of materials under rapid and extreme loading. This mode will utilise the block allocation group (BAG) model, pooling together shared equipment, personnel and expertise to underpin and enhance the science at the intersection of X-rays and dynamically-compressed matter. This Shock-BAG would build-upon the dedicated gas-gun, Hopkinson bar platforms, and multi-MHz X-ray imaging scheme arising from our recent LTP, offering these proven tools and expertise to grow the high-rate and shock user community at ESRF. In addition, the Shock-BAG would serve as a home for emergent techniques, such as pulsed power-, laser- and explosive-drive, which share similar challenges and diagnostic needs. The combination of these research tools will enable us to probe the properties of matter at extreme conditions, from damage in composites panels, to the physics of earthquakes.
DOI: 10.15151/esrf-es-962085567
title: Composition-dependent magnetism in intrinsic magnetic topological insulators

description: Topological materials (TMs) have attracted great research interest with the promise of developing novel electronic devices with new functionalities. Among these materials, MnBi2Te4 is the first intrinsic magnetic topological insulator (TI) that can experimentally achieve quantized edge conductance at certain thicknesses. Here, we propose a systematic study on the magnetism of the extended TI family of MnBi2Te4, i.e., (MnTe)m(Bi2Te3)n, which all possess topologically protected surface states. Further, by substitutional replacement of Bi with Sb, the surface Dirac point can be moved close to the Fermi level, allowing for tracking the interplay between doping and magnetic properties. This composition-ratio dependent study will help to reveal the intimate relation between topology and magnetism in intrinsic magnetic TIs, and therefore promote the development of high-efficiency spintronic applications in TMs.
DOI: 10.15151/esrf-es-963148677
title: Operando Scanning X-ray Diffraction Imaging of Li ionic order in high-voltage LiMn1.5Ni0.5O4 cathode materials

description: High voltage spinel cathode materials such as LiMn1.5Ni0.5O4 (LMNO) are the next step in the evolution of lithium-ion battery technology. Despite relatively large theoretical energy density and fast charging capabilities, the phase transitions of these materials are complex and poorly understood. Operando Scanning X-ray Diffraction microscopy (SXDM) will allow us to follow these phase transitions at the scale of single nanocrystals, and determine the link between cationic ordering, strain, mosaicity, and the dynamics of the phase transitions during battery (dis)charging. The experiment is aimed at studying the spatial distribution of redox processes and lithium deintercalation occurring in single crystal particles. The obtained data on strain transformation would give us valuable information about variations of lithium ionic order and phase evolution at nanoscale and will allow to image heterogeneities in way inaccessible by any other method.
DOI: 10.15151/esrf-es-967376707
title: X-ray absorption study of laser-shocked hematite (Fe2O3) and wüstite (FeO

description: Iron oxides play a major role in the mineralogy of deep Earth and Super Earth exoplanets. The recent discovery of unexpected Fe-O stoichiometries at high pressures (P) and temperatures (T) questions our knowledge of the actual oxidation state of iron at mantle conditions. X-ray Absorption Near Edge Structure (XANES) is highly sensitive to oxidation states and local environment and is thus particularly well-suited to tackle the question of spin transitions and valence state of iron under the very high pressures of planetary mantles. We propose to explore XANES at Fe K-edge of shock-compressed hematite (Fe2O3) and wüstite (FeO), the prototype Fe(III)- and Fe(II)-bearing iron oxide, for precising the nature of observed phase transitions, actual valence state of iron at high pressure, up to 500 GPa.
DOI: 10.15151/esrf-es-971377447
title: Multi-scale Multi-techniques investigations of Li-ion batteries: towards a European Battery Hub

description: In this science-driven Long-Term proposal, we propose a 3-years multi-beamline program tackling grand challenges for actual, emerging and future battery technologies. We will deploy advanced methodologies for accelerating research by setting new cooperation modes for multi-techniques multi-scale studies. Three chemistry-neutral scientific cases have been identified to fulfil this LTP: bulk-to-surface mechanisms, high energy system and smart sensing. Multiple, time-coordinated, interoperable spectroscopic, imaging & scattering techniques will be implemented. This proposal is the Pilot Phase towards a European Battery Hub aiming at accelerating workflows in battery research by optimizing the exceptional diversity of means available at ESRF. We expect to demonstrate the added value of a new “proposal” mechanism, e.g. science-driven beamtime allocation group, serving the fast growing, highly competitive and rapidly evolving European battery community.
DOI: 10.3886/e183282
title: THE THEORY OF TEACHING AND LEARNING MODEL'S FINAL PROJECT

description: This document includes a description of the framework for the final semester project, which is divided into two project topics: interviewing educators (from all educational levels and backgrounds) about the implications of the teaching points listed in the semester learning plan, as shown in the table below. As part of the second point of the end-of-semester project, students are also expected to read the study material in the table "Simplified Reviews of the Contents of Scientific Articles Related to Education Archipelago Based," which contains information on eleven articles from the first source [regularly published scientific articles]. An assessment rubric chart guides the two topics of this project to guide in carrying out interview projects and exploration of the latest studies in published scientific articles, and the format of the guidelines is adapted from several assessment rubrics (Yustanti, 2021; Jakaria, n.d.) and adapted according to the flow of this project. Meanwhile, to help students finish their final semester project, the following applications will assist in adapting and assessing the context of the ideas covered in Topics 1 and 2. Therefore, this guideline document was constructed and written literary in Bahasa.
DOI: 10.3886/e183282v1
title: THE THEORY OF TEACHING AND LEARNING MODEL'S FINAL PROJECT

description: This document includes a description of the framework for the final semester project, which is divided into two project topics: interviewing educators (from all educational levels and backgrounds) about the implications of the teaching points listed in the semester learning plan, as shown in the table below. As part of the second point of the end-of-semester project, students are also expected to read the study material in the table "Simplified Reviews of the Contents of Scientific Articles Related to Education Archipelago Based," which contains information on eleven articles from the first source [regularly published scientific articles]. An assessment rubric chart guides the two topics of this project to guide in carrying out interview projects and exploration of the latest studies in published scientific articles, and the format of the guidelines is adapted from several assessment rubrics (Yustanti, 2021; Jakaria, n.d.) and adapted according to the flow of this project. Meanwhile, to help students finish their final semester project, the following applications will assist in adapting and assessing the context of the ideas covered in Topics 1 and 2. Therefore, this guideline document was constructed and written literary in Bahasa.
DOI: 10.5281/zenodo.7370435
title: The supplementary (hourly output data) for OMARE of the Ocean Dynamics manuscript

description: The hourly output data of core prognostics (u, v, ssh, ts) of experiments X-AMR, X, S for OMARE of the Ocean Dynamics manuscript with the title: Computational performance and scalability Analysis for the flexible ocean Modeling framework of OMARE (Ocean Modeling with Adaptive REsolution).
DOI: 10.5281/zenodo.7370434
title: The supplementary (hourly output data & computational performance log) for OMARE of the Ocean Dynamics manuscript

description: The supplementary (hourly output data & computational performance log) for OMARE of the Ocean Dynamics manuscript with the title: Computational performance and scalability Analysis for the flexible ocean Modeling framework of OMARE (Ocean Modeling with Adaptive REsolution). amr_wbc.tar.gz: The hourly output data of core prognostics (u, v, ssh, ts) of experiments X-AMR, X, S for OMARE in TianHe platform, including the picture results (png format). Computational_Performance.zip: The computational performance logs of the M, S, X, L-M-50, M-S-30, M-S-100, S-X-10, for OMARE in ThianHe and IntelCluster platform. The computational performance logs of X-AMR and I/O in TianHe platform.
DOI: 10.5281/zenodo.7370616
title: The supplementary (hourly output data & computational performance log) for OMARE of the Ocean Dynamics manuscript

description: The supplementary (hourly output data & computational performance log) for OMARE of the Ocean Dynamics manuscript with the title: Computational performance and scalability Analysis for the flexible ocean Modeling framework of OMARE (Ocean Modeling with Adaptive REsolution). amr_wbc.tar.gz: The hourly output data of core prognostics (u, v, ssh, ts) of experiments X-AMR, X, S for OMARE in TianHe platform, including the picture results (png format). Computational_Performance.zip: The computational performance logs of the M, S, X, L-M-50, M-S-30, M-S-100, S-X-10, for OMARE in ThianHe and IntelCluster platform. The computational performance logs of X-AMR and I/O in TianHe platform.
DOI: 10.6084/m9.figshare.21628421.v1
title: List of studies included in the review

description: The table lists the studies using the flipped approach to teach technical clinical skills to medical students and nursing students which were included in the narrative review. Databases searched include PubMed, MEDLINE, ERIC, MedEdPublish and Google Scholar.
DOI: 10.6084/m9.figshare.21628421
title: Titles and geographic distribution of reviewed studies

description: The table lists the titles and geographic distribution of the studies using the flipped approach to teach technical clinical skills to medical students and nursing students which were included in the narrative review. Databases searched include PubMed, MEDLINE, ERIC, MedEdPublish and Google Scholar.
DOI: 10.6084/m9.figshare.21628421.v3
title: Titles and geographic distribution of reviewed studies

description: The table lists the titles and geographic distribution of the studies using the flipped approach to teach technical clinical skills to medical students and nursing students which were included in the narrative review. Databases searched include PubMed, MEDLINE, ERIC, MedEdPublish and Google Scholar.
DOI: 10.6084/m9.figshare.21628421.v2
title: Titles and geographic distribution of reviewed studies

description: The table lists the titles and geographic distribution of the studies using the flipped approach to teach technical clinical skills to medical students and nursing students which were included in the narrative review. Databases searched include PubMed, MEDLINE, ERIC, MedEdPublish and Google Scholar.
DOI: 10.25909/6384628a981f0
title: Arid Recovery 2018/19 western quoll microstallite genotypes

description: Microsatellite genotypes for 12 founders and 23 offspring from Arid Recovery Reserve, sampled 2019
DOI: 10.6084/m9.figshare.21628505
title: supplemental file 1.cds

description: sequence information of genomewide transcriptomic analysis of alfalfa after salt and JA treatment.
DOI: 10.6084/m9.figshare.21628505.v1
title: supplemental file 1.cds

description: sequence information of genomewide transcriptomic analysis of alfalfa after salt and JA treatment.
DOI: 10.21227/3e08-dy43
title: Mobile Sensor Daily Activity Data For Forensics

description: A mobile sensor can be described as a kind of smart technology that can capture minor or major changes in an environment and can respond by performing a particular task. The scope of the dataset is for forensic purposes that will help segregate day-to-day activities from criminal actions. Smartphones supplied with sensors can be utilised for monitoring and recording simple daily activities such as walking, climbing stairs, eating and more. For the generation of this dataset, we have collected data for 13 classes of daily life activities, which has been done by a single individual.