cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15151/esrf-es-2331196582
title: SXDM on GeSn nanowires and GaN reference structure

description: We will employ Scanning X-ray Diffraction Microscopy with the mininmal resolution of ~25 nm to map the strain and stoichiometry in GeSn nanowires. The orientation has been pre-determined at BM32, allowing to align them at ID01. Moreover, we will perform mapping of the complete strain tensor in a GaN/Si heterostructure, to be correlated to a series of strain mapping techniques including DFXM, EBSD and HR-STEM
DOI: 10.15151/esrf-es-2312167915
title: Immobilization of Th(IV) in Yttrium Stabilized Zirconia Ceramics

description: Safe disposal of nuclear waste requires matrix materials with strong resistance against corrosion and dissolution over a period of more than 10E6 years. Zirconium based ceramics might be used as storage material, because their natural analogues zircon, ZrSiO4, and zirconia, ZrO2, are known to remain stable in geological cycles up to approximately 2·10E9 years. We intend to investigate the structural substitution of thorium in Y-stabilized ZrO2 ceramics. Th(IV) is selected for this study because it represents the typical oxidation state IV which appear in Pu, U and Th containing nuclear waste. The aim of this study is to determine to what extend Th(IV) can be introduced into zirconium ceramics without Zr/Th phase separation.
DOI: 10.15151/esrf-es-2311173910
title: XAS Characterization of the Novel Pressure-Formed AuF8Xe11 Solid

description: Fluorine's unparalleled reactivity enables the stabilization of elements in unconventional oxidation states, exemplified by compounds such as AuF5 (gold in +5) and (Xe2F11)+(AuF6)- (gold and xenon in +6). High-pressure conditions amplify this potential, allowing the synthesis of exotic materials that challenge conventional chemistry. Our recent synchrotron single-crystal X-ray diffraction experiments revealed the formation of the novel compound AuF8Xe11 near 50 GPa, with gold potentially reaching the unprecedented +8 oxidation state. This proposal aims to use XANES and EXAFS measurements on ID24-DCM to directly measure and determine the oxidation states of Au and Xe as well as the Au- and Xe-F interatomic distances in this compound near 50 GPa. This will provide the unambiguous determination of the chemical nature of the exotic AuF8Xe11 solid.
DOI: 10.15151/esrf-es-2312167834
title: Morpho-functional analysis of early macroscopic live: 3D reconstruction of the skeleton of extinct marine archaeocyathas by synchrotron X-ra

description: This project aims to determine the skeletal structures of extinct marine archaeocyaths, among Earth’s earliest hard-bodied animals, using synchrotron X-ray imaging. Traditional thin-section analysis and lab-scale tomography provide only partial 2D data, failing to produce representative 3D models due to low-density contrast. Synchrotron radiation enables high-resolution 3D reconstruction, revealing fine skeletal details. This data will validate computational fluid dynamics (CFD) models to understand water flow and archaeocyaths’ filtering system, key to their feeding and role as early reef-builders. Specimens come from the protected Geo-zone 158 in Boadella – La Salut de Terrades, studied via the Museum of Geology of the Seminary of Barcelona (MGSB) collection.
DOI: 10.15151/esrf-es-2312167996
title: USAXS and XPCS studies of the structure and dynamics of aqueous high concentration nanocolloids of iron-based spinel oxides

description: High concentration, up to 50 vol.%, are commonly produced using massive addition of steric organic stabilizers, although “naked” nanoparticles are necessary in many applications. We synthesized novel electrolyte- and organics-free colloids of silver and metal oxide nanoparticles with concentrations on the order of 1 kg/L. Preliminary SAXS/USAXS experiments revealed that the Fe3O4 colloids form large clusters, having varying fractal dimensions affecting viscosity and other properties of the dispersions. Here, we propose to use time-resolved USAXS for studying the structure and dynamics of magnetite and ferrites nanocolloids as a function of nature and concentration of oxides, surface capping (citrates or phosphates of Li, Na, H) and temperature. The data will be compared with the rheology and electrochemistry of the colloids to understand particle interaction, clustering, (equilibrium) dynamics at various length scales, and prospects of their engineering and emerging applications.
DOI: 10.15151/esrf-es-2312168015
title: Microscale mechanisms of Hydrogen embrittlement in high strength aluminium

description: Hydrogen embrittlement (HE) in aluminium alloys is so poorly understood that the latest generation of materials are being removed from service in aerospace applications and routinely replaced with previous generation materials at huge cost to the aviation industry. Measuring crack velocity is a key aspect of quantifying the behaviour of HE cracks but assuming a constant crack velocity whilst useful in an engineering sense is a massive oversimplification and ignores the microstructural scale interactions which must be understood to have the correct context for the fundamental understanding of the mechanisms. Temporary arrest and bursts of growth are clearly occurring, but this has never been directly observed. We will collect multi-temporal microscale 3D images on a timescale of seconds (for 1-10 mins) and at ~hourly intervals to observe the local crack growth behaviour and interaction with the microstructure. We will apply our new crystal plasticity phase field model to this data.
DOI: 10.15151/esrf-es-2312168186
title: High-pressure synthesis of alkali metal polyoxides

description: The aim of this project is the synthesis and investigation of novel polyoxides of alkali metals under
high pressure. In particular, we aim to synthesize Li, Na and K compounds featuring polyoxide anions
including unconventional compounds with non-integer formal charges on the polyoxygen anions. Our
proposal is based on recent theoretical predictions, the discovery of pressure-stabilized ozonides in
the Ca-O system, and our own preliminary studies of the Na-O system.
DOI: 10.15151/esrf-es-2312904118
title: Combination of SAXS/WAXS analysis with chip nanocalorimetry to address structural reorganization of thin films of conjugated compounds durin

description: In the proposed experiment, we aim to explore the crystallization mechanisms of novel organic photoactive and charge-transport materials based on triisopropylsilyl-substituted benzodithiophenes and bis(2-ethylhexyloxy)benzene units using combination of SAXS/WAXS and ultra-fast chip calorimetry. The 2D mapping with micrometer resolution of in-plane and out-of-plane reflections during slow and fast heating allows to reveal the evolution of thin film texture, particularly, the domain size and their orientation in respect to the film surface. This analysis helps distinguish reorganization from coalescence, providing insights into phase transitions and thermoelectric properties critical for PSCs processing.
DOI: 10.15151/esrf-es-2343311093
title: Cryo-electrodes and pellets

description: Measurements of Mn electrodes and pellets
DOI: 10.15151/esrf-es-2336646978
title: Continuation of MA6762

description: Repeat MA6762 in less nightmarish conditions. (hopefully)
DOI: 10.15468/dl.ymcwbu
title: Occurrence Download

description: A dataset containing 5 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Cissus mirabilis",
 "HasCoordinate is true",
 "BasisOfRecord is one of (Specimen)"
 ]
}

 The dataset includes 5 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021454-260208012135463/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15151/esrf-es-2311493303
title: Operando XAS and XRD measurements to elucidate the deactivation/reactivation behaviour of Pt-Rh mono and bimetallic TWCs

description: This study aims at the fundamental understanding of the deactivation/reactivation behaviour of mono and bimetallic Pt-Rh/Al2O3 TWCs for the simultaneous removal of CO, NOx and HCs under harsh and dynamic reaction conditions. Preliminary catalyst characterization indicates that sintering, restructuring and/or segregation processes occur at high temperatures depending on the catalyst composition and aging conditions, which result in pronounced changes in the catalytic activity. Starting with well-defined mono and bimetallic catalysts, the evolution of each noble metal will be monitored by in situ/operando XAS measurements at the Pt L3 and/or Rh K edges, while the overall phase changes will be identified by in situ/operando XRD investigations. After exposing the catalysts to progressively higher temperatures and rapid changes in the gas atmospheres, their regeneration ability will be studied during following activity cycles with/without catalyst pre-treatment steps.
DOI: 10.15151/esrf-es-2329289530
title: Structural ccharacterization of the conjugative Type IV Secretion System pilus tip complex

description: Bacterial conjugation is the primary cause of the spread of antibiotic resistance genes, significantly contributing to the global antibiotic resistance crisis. This DNA transfer process is mediated by the Type IV Secretion System (T4SS), a large molecular machinery. A crucial component of this system is the conjugative pilus, a long extracellular filament that establishes the initial contact between donor and recipient cells, enabling DNA transfer. Despite its vital roles in host-cell recognition and penetration, the molecular details of the pilus tip remain poorly understood. Our project aims to unravel the molecular mechanisms underlying the interaction between the pilus tip and the recipient cell during bacterial conjugation. Using advanced structural approaches, including cryo- electron microscopy (cryo-EM), we aim to resolve the native structure of the pilus tip both in its resting state and during interaction with the recipient cell.
DOI: 10.15151/esrf-es-2311493347
title: 4D Micromechanical investigation of high cycle fatigue mechanisms at intragranular scale in a polycrystalline nickel superalloy.

description: This research aims to correlate crack and microstructure data under fatigue loading by characterizing cyclic strain localization during crack nucleation and early propagation. It builds on the ma6296 experiment (November 2024, ESRF, ID11) and is part of the ANR-JCJC MINIFAT-4D project, which investigates the interaction between microstructure, plasticity, and fatigue damage using in-situ 3D characterization and micromechanical modeling.
Experiments will be conducted on Inconel 718 using the NANOX test rig, designed for high-cycle fatigue testing at ID11. Data will be obtained primarily through in-situ scanning X-ray diffraction (s3DXRD), along with diffraction and phase contrast tomography (DCT and PCT). The study aims to enhance understanding of fatigue crack nucleation and early propagation mechanisms by correlating microstructure, crack position, and intragranular gradients of elastic deformation or crystalline rotations.
DOI: 10.15151/esrf-es-2311493492
title: Sub-cellular localization of transition metals within macrophages infected by Mycobacterium tuberculosis

description: Tuberculosis (TB), caused by Mycobacterium tuberculosis (Mtb), results in more than 1 million deaths annually. Our lab discovered that macrophages, immune cells that engulf the pathogen during infection, combat Mtb by raising toxic metal ion concentrations (e.g., Cu, Zn) within its vacuole. We propose to use nanobeam scanning-XRF mapping at the ID16B beamline to examine the presence, concentration, and intracellular distribution of transition metal ions (Mn, Fe, Ni, Cu, Zn, Cd) in infected macrophages. This project aims to deepen our understanding of how the immune system eradicates pathogens and could lead to new therapeutic strategies for TB.
DOI: 10.15151/esrf-es-2313096370
title: Mapping PV+ interneuron connectivity in CA1: Unraveling the inhibitory architecture of hippocampus

description: While excitatory pyramidal cells are well-studied in hippocampal spatial coding and memory, the inhibitory circuits, particularly Parvalbumin-positive (PV+) interneurons, are underexplored despite their role in coordinating gamma oscillations crucial for memory processes. The detailed anatomical organization of PV+ axonal projections remains unclear, limiting our understanding of hippocampal computation. This study aims to map PV+ interneuron processes in the CA1 region using synchrotron X-ray imaging and APEX-PV+ labeling. It will explore (1) the extent of PV+ innervation across CA1, (2) synaptic targeting patterns on pyramidal neuron somas, and (3) how PV+ connectivity influences network-level inhibition. This will illuminate both direct inhibition and disinhibition mechanisms, bridging structural connectivity and functional dynamics, and informing future computational models of hippocampal circuits.
DOI: 10.15151/esrf-es-2227968225
title: Formation and stability of different Na-Si phases predicted from DFT calculations using high pressure-high temperature in-situ experiments

description: For energy applications, there is need to develop materials made of abundant, cheap and non toxic elements such as Si and Na. In previous in-situ high pressure – high temperature (HP-HT) x-ray diffraction (XRD) experiments at the ESRF, we have observed several new and unknown Na-Si phases, some of which can be recovered at ambient conditions. From those data, we have been successful in identifying one of these new phases and have a high FoM lattice for another, which requires further work for complete resolution. These results, and that the Na-Si phase diagram is still relatively unexplored, leads to this proposal to further investigate the HP-HT Na-Si phase diagram and identify potential new materials for energy applications using in-situ HP-HT X-Ray diffraction at the ID06-LVP ESRF beamline. This forms part of an on-going ANR project, of which the in-situ element is key, between our Institutions, which supports several postdoc and PhD positions.
DOI: 10.15151/esrf-es-2311170951
title: Role of Ni sites in NiOOH modified Sn doped hematite photoanodes towards photoelectrochemical glycerol oxidation in alkaline conditions

description: Photoelectrochemical glycerol oxidation has emerged as a sustainable and economically viable approach in conversion of glycerol into solar fuels .To achieve selectivity in alkaline regime towards dihydroxyacetone (DHA) and glyceraldehyde (GLAD), we have fabricated Sn doped hematite photoanodes followed by NiOOH functionalisation through photo-assisted electrodeposition. We plan to perform an operando X- ray Absorption Spectroscopy experiment at Ni-K edge on these photoanodes during photoelectrochemical glycerol oxidation reaction to understand local order and oxidation state of Ni. The role of Ni phase transition in Ni(OH)2 /NiOOH cocatalyst sites on photoanodes has never been reported before for photoelectrochemical glycerol oxidation reaction. Therefore, the proposed experiment with these state-of-art photoanodes will bridge the gap in understanding formation of metastable charged states possibly present in the cocatalyst during operation enhancing selectivity of C3 molecules.
DOI: 10.15151/esrf-es-2311172992
title: Study of the capacity of 3 classes of ligands to eliminate Cu(I) and Cu(II) from the beta-amyloid peptide involved in Alzheimer's disease in

description: A therapeutic approach that has been explored in the context of Alzheimer's disease (AD) involves the removal of the redox-active copper ions (Cu) that are bound into the amyloidogenic peptide implicated in AD (amyloid-β peptide, Aβ), in the synaptic cleft. In this regard, our current research focuses on the development of ligands, targeting Cu(II) or Cu(I), or both redox states, able to inhibit the redox cycling of Cu and the production of the toxic reactive oxygen species (ROS) it generates. The ligands under consideration here include macrocycle N-based thioether (A), thiosemicarbazone derivatives (B), and modified ATCUN peptides (C). Our project aims to gain insights into the binding of Cu(I), Cu(II) and Zn(II) with the ligands and to monitor the Cu removal from the Cu(Aβ) in biological conditions with and without Zn(II). The present study also intends to evaluate the ability of the ligand to redistribute the Cu(I) to glutathione (GSH), an abundant intracellular component.
DOI: 10.15151/esrf-es-2311173392
title: Evaluation of the role of 410 km discontinuity as a redox filter in the upper mantle

description: Regions of low seismic velocity, linked to hydrous partial melting, have been detected at the top of the mantle transition zone (around 410 km deep). The buoyancy of these melts is influenced by their iron content, but there is a limited knowledge about how iron distributes between liquid and solid in these conditions. This study investigates how Fe3+ partitions between hydrous incipient melts and residual peridotite in the transition zone. Samples were synthesized under high-pressure conditions using a multi-anvil press and quenched into glass at pressures up to 12 GPa. These samples will be analyzed using micro-focused synchrotron Mössbauer spectroscopy, providing insights into Fe3+ compatibility in mantle melting. The findings will provide new constraints regarding the fate of the incipient melt at 410 km and its potential role for the redox evolution in the deep mantle.
DOI: 10.15151/esrf-es-2311173429
title: Optical pump-induced strain waves in kagome metals

description: Our previous measurements in ID09 revealed an extremely slow lattice relaxations (despite a good metallic character) and a long-standing coherent intensity oscillations on the Gd-compound. At first glance, these oscillations could be the strain waves generated due to the optical pumping in the material. However, considering the high magnetic transition temperature (TN= 425 K) and high-energy magnons present, we cannot rule out the magnetic degree of freedom, either. Regardless of the origin, these oscillations seem to couple to the slow lattice relaxation and therefore, key to understand this unusual behavior, which we seek to identify here.
DOI: 10.15151/esrf-es-2311173618
title: Cu(I)-ionophores as novel anti-cancer therapy: investigation of the cell-dependent mechanisms of action

description: Copper is an essential metal for humans, but is also involved in tumour development and proliferation, through only partially known processes. In the quest for novel paradigms in cancer therapy, we developed Cu(I)-ionophores, i.e. transmembrane transporters that displace cellular Cu pools, inducing cancer cell death. We propose to investigate the mechanism of action of these molecules in hepatic and pulmonary cancer cells. Nano-XRF imaging will allow us to visualize and quantify the subcellular distribution of Cu in cancer cells and its modifications induced by Cu(I)-ionophores, whereas nano-X-ray Absorption Spectroscopy will expose the chemistry of Cu in selected regions of treated and untreated cancer cells. Understanding the mechanism of action will foster the development of this new class of anti-cancer drugs.
DOI: 10.15151/esrf-es-2311173878
title: XAS Characterization of the Novel Pressure-Formed AuF8Xe11 Solid

description: Fluorine's unparalleled reactivity enables the stabilization of elements in unconventional oxidation states, exemplified by compounds such as AuF5 (gold in +5) and (Xe2F11)+(AuF6)- (gold and xenon in +6). High-pressure conditions amplify this potential, allowing the synthesis of exotic materials that challenge conventional chemistry. Our recent synchrotron single-crystal X-ray diffraction experiments revealed the formation of the novel compound AuF8Xe11 near 50 GPa, with gold potentially reaching the unprecedented +8 oxidation state. This proposal aims to use XANES and EXAFS measurements on ID24-DCM to directly measure and determine the oxidation states of Au and Xe as well as the Au- and Xe-F interatomic distances in this compound near 50 GPa. This will provide the unambiguous determination of the chemical nature of the exotic AuF8Xe11 solid.
DOI: 10.15151/esrf-es-2311173957
title: Operando investigation of polysulfide speciation on carbon fibre electrodes

description: Li-S batteries are a promising alternative to Li-ion, but uncontrolled diffusion and side reactions of soluble polysulfide (PS) intermediates (Li2Sn, 2≤n≤8) result in reduced Coulombic efficiency and rapid degradation. We use free-standing carbon fibres with tuneable surface chemistry and porosity to control nucleation, growth and retention of PSs at the cathode. This experiment uses the tender emission spectrometer on beamline ID26 to follow S Kβ emission during battery cycling. A combination of Kβ detected high energy resolution fluorescence detection (HERFD) X-ray absorption spectroscopy and X-ray emission spectroscopy (XES) will be used to follow formation and speciation of PSs during cycling on carbon fibre mats with different porosity and surface functionality. This information will enable us to understand the effect of carbon fibre structural properties on their ability to regulate S species conversion and deposition, allowing us to design materials with improved performance.
DOI: 10.15151/esrf-es-2311174109
title: Surface X-ray Diffraction for the Characterization of Polymer Thin Films on Active Catalyst Surfaces

description: We propose using high-energy surface X-ray diffraction (HESXRD) to study model polymer/catalyst interfaces to understand the structural motifs occurring at an interface critical to the chemical recycling of plastic. Our results will enhance the atomic level understanding of the catalyst interface, in particular the surface relaxation and polymer coordination under reaction conditions. Short-chain hydrocarbons and polymer melts exhibit different reaction selectivity and activity, yet characterizing these interfaces has remained infeasible. Our previous experiments at ID31 show that HESXRD allows for the probing of the active catalyst under relevant conditions. We will apply similar methods to probe the polymer/Ru interaction and structure via the deposition of thin films. These insights will ultimately allow for a deeper understanding of the interface structure during polymer hydrogenolysis, allowing for the design of more efficient catalysts.
DOI: 10.15151/esrf-es-2313182707
title: Angular Dependence of XNCD and XNLD in an Orthorhombic Crystal: Disentangling Dipole and Quadrupole Contributions

description: This experiment is designed to investigate the angular dependence of X-ray Natural Circular Dichroism and X-ray Natural Linear Dichroism in single crystals with orthorhombic symmetry, with a specific focus on isolating and characterizing the electric dipole (E1.E1) and electric quadrupole (E2.E2) contributions to the X-ray absorption process with respect to the optically active (E1.E2) contribution. By taking advantage of the anisotropy of the crystal and the polarization control of synchrotron radiation, the experiment aims to provide a detailed understanding of how these the transition mechanisms contribute independently and jointly to the observed dichroic signals.