cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15151/esrf-es-2297642229
title: Structural Biology of immunoglobulin cleaving peptidases

description: Antibodies are essential components of the immune system, playing a central role in recognizing and neutralizing pathogens. In response, many bacterial species have evolved specialized enzymes that target and cleave these antibodies, enabling immune evasion and enhancing their ability to establish infection. Studying such enzymes is critical for understanding microbial pathogenesis, informing drug discovery, and developing new biomedical and biotechnological tools. We are currently investigating a large, multidomain zinc-dependent metallopeptidase that contains several accessory domains and exhibits high specificity toward immunoglobulins. Our research focuses on elucidating its antibody- recognition mechanism using a combination of structural biology techniques, including X- ray crystallography, small-angle X-ray scattering (SAXS), and cryo-EM.
DOI: 10.15151/esrf-es-2257659038
title: In-situ SAXS and WAXS study of the precipitation of CaCO3 delayed by Polystryrene sulfonate (PSS)

description: In this follow-up experiment of MA-5094, we aim to investigate how varying the concentration of PSS influences the precipitation kinetics, the morphology of the vaterite particles, and the aggregation process of nanograins into larger particles of CaCO3 over time. To improve upon our previous setup, we will introduce an automated system for the injection of the two precursor solutions (Na2CO3 and CaCl2 in presence of PSS) , eliminating delays in the initiation of measurements and ensuring more precise control over the experimental conditions. By reducing the PSS concentration to less than 7mM at a precursor concentration of 9mM we expect to speed up the kinetics and vice versa. This will also impact the size of the precipitated particles.
DOI: 10.15151/esrf-es-2257659702
title: Chain Explosion - Melting of Crystals in Low Entangled Polyethylenes

description: The proposed experiment aims to find out the relationship between melting-induced changes in the morphology of low-entangled high-density polyethylene (HDPE) and ultra-high molecular weight polyethylene (UHMWPE) and monitor the increase in the entanglement density during melting. Conventional and fast-scanning thermal analysis combined with millisecond time resolved small and wide angle scattering will be used to assess the melting behavior and the effect of thermal history on the phase transitions. Changes in crystallinity and the size of crystalline and amorphous domains will be determined by real-time X-ray synchrotron experiments.
DOI: 10.15151/esrf-es-2257660503
title: Investigating the contributions of ultrasonic cavitation in skin permeability enhancement

description: Sonophoresis uses low-frequency ultrasound (US) to enhance transdermal drug delivery through acoustic cavitation bubbles formed in the coupling medium applied to the skin for US transmission, creating localised permeable regions on the skin for drug transport. To address the poor coverage of permeable regions on the treated skin, which limits drug delivery at clinically relevant doses, we propose to visualise the cavitation dynamics in different hydrogel-based coupling media and to correlate it to the resulting skin permeability assessed in terms of superficial skin damage. Experiments will be conducted on animal-derived biological skin samples using ultrafast X-ray phase contrast imaging and microtomography. The results will elucidate the key physical mechanism underlying sonophoresis-based drug delivery and reveal how different coupling medium compositions affect the efficacy of sonophoresis treatments, identifying the most effective one.
DOI: 10.15151/esrf-es-2257661222
title: Characterization of RolA aggregation drivers

description: Some proteins self-assemble to form fibrous structures to express their functions. Considering the natural state in which proteins function, proteins are surrounded by various interfaces, and it is known that interfaces affect self-assembling, but molecular mechanisms of this phenomena is largely unknown. RolA is a globular protein produced by filamentous fungus Aspergillus oryzae. RolA needs to self-assemble in amyloid-like assemblies in order to perform its function. How this self-assembly is tailored by the host is not clear and it seems that contact with different interfaces is critical. In this study, we will analyze the structural and suprastructural states of the proteins in solution, by SAXS, and at the interface using GI-SAXS. The goal is to understand how the protein interacts with various interfaces in order to modulates its self-assembly. Our findings will provide a clear explanation for the ubiquitous, naturally occurring surface-induced protein assembly.
DOI: 10.15468/dl.z2pwn6
title: Occurrence Download

description: A dataset containing 9 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Ruschia versicolor",
 "HasCoordinate is true"
 ]
}

 The dataset includes 9 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019837-251120083545085/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-2228668155
title: The European Battery Hub

description: This project is the continuation of the Battery Pilot Hub (MA4929), a pioneer initiative at ESRF designed to achieve large-scale synchrotron-based correlative characterization of battery materials (2021-24). The European Battery Hub is the demonstrator of this new community-driven approach, where we will develop, expand and deploy integrated workflows to resolve scientific challenges towards more sustainable battery technologies. We will focus on Na-ion Batteries and All Solid State Batteries, while ensuring transferability of methods to other systems. The Hub will provide a holistic understanding of reaction and degradation mechanisms by pushing the frontiers of time and space resolution thanks to the exceptional coherence and brilliance of the X-rays at ESRF. Six core beamlines are identified to realize the program (ID31, ID13, BM32, ID16b, ID20, ID26), where novel set-ups, sample environments, interoperable cells, common data handling protocols and pipelines will be developed.
DOI: 10.15151/esrf-es-2257447429
title: Investigating the capability of the reference electrode to accurately detect the onset of Lithium plating in Li-ion battery

description: Reducing greenhouse gas emissions through the widespread adoption of electric vehicles remains challenging due to the high charging time of today's batteries. Indeed, increasing the charging rate of Li-ion batteries leads to an increased risk of lithium plating: a parasitic reaction that affects the safety and durability of the battery. It is therefore essential to develop a real-time Li plating detection technique compatible with industrial applications i.e., a reference electrode (RE). We propose here to perform X-ray diffraction at several locations in a pouch-cell: close to the RE as well as far away from the RE to investigate the capability of the reference electrode to detect the onset of Li plating accurately.
DOI: 10.15151/esrf-es-2257452347
title: 2D Polar Supercrystal Phase in Lacunar Spinels

description: Non-centrosymmetric lacunar spinels like GaMo₄S₈ host an exotic, Jahn-Teller effect driven polar state lacking antiphase ferroelectric domains at low temperature. Our preliminary cryogenic transmission electron microscopy data suggest that these domains form a 2D polar supercrystal state in thin GaMo₄S₈ lamellae. Here, we propose an in-situ scanning X-ray diffraction microscopy (SXDM) study of GaMo₄S₈ lamellae as a function of temperature to investigate the emergence of periodic domain patterns. Using ID01 at ESRF, we aim to spatially resolve the local lattice distortions and domain tilts, providing direct evidence of this new supercrystal structure emerging in polar non-ferroelectric materials.
DOI: 10.15151/esrf-es-2257452982
title: In situ investigation of the phase evolution in Ba-122 wires during thermal treatment via XRD and tomography

description: The proposed experiment aims to study the evolution of crystalline phases in Ba-122 superconducting wires during the thermal treatments necessary for sintering the superconducting powders. The wires are fabricated through the PIT technique which consists in filling a metallic tube with superconducting powders. Such composite tube then undergoes mechanical processing to obtain a wire (or a tape) and thermal treatments for powder sintering. The specific thermal profile of the annealing induces recrystallization of the phase and grains growth and connectivity but, on the other hand, can lead to the formation of minor secondary phases detrimental to the superconducting properties. For this reason, it is essential to thoroughly study the recrystallization process during the thermal profile to optimize the process in order to maximize the superconducting transport properties and minimize the formation of the undesired phases.
DOI: 10.15151/esrf-es-2257456056
title: Densities of kimberlitic melts at high pressures and mobility of carbon in the upper mantle

description: Here we aim at measuring the density of hydrous kimberlitic melts (10 to 20 wt% CO2, &lt; 30 wt% SiO2, &lt; 10 wt% H2O) that are representative of carbon-rich melts produced by the partial melting of carbonated mantle rocks between 50 and 200 km depth. These melts play a key role in the geochemical and geodynamical evolution of the mantle, in the transport of carbon to the surface and in the regulation of the deep carbon cycle. Density will be measured between 1-5 GPa and 1300-2000 K in a panoramic Paris-Edinburgh (PE) press by the X-ray absorption technique at ID27 beamline. The results will provide insights into the mobility of carbonated melts at depth and their role as carbon reservoirs and carriers in the Earth’s interior.
DOI: 10.15468/dl.jm9gbp
title: Occurrence Download

description: A dataset containing 5091 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is one of (Human Observation, Machine Observation)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Elephas maximus"
 ]
}

 The dataset includes 5091 records from 15 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019836-251120083545085/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-2256531412
title: In situ XAFS Study of Au/Ni catalysts for Water-Gas Shift Reaction

description: The Water Gas Shift (WGS) reaction is a crucial industrial process for large-scale hydrogen production. Herein, we constructed a high-performance Au-NiOx/CeO2 catalyst for the WGS reaction, which exhibits significantly higher activity compared to previously reported catalysts. By utilizing time-resolved X-ray absorption fine structure (XAFS) techniques at ESRF’s BM23 beamline, this proposal aims to: 1) Investigate the in situ evolution of the electronic and coordination environments of the active metal (Au and Ni) on the defective CeO2 surface during the in situ WGS reaction. 2) Track the structural dynamics of Au and Ni under consecutive switching between CO and H2O. Exploring the dynamic nature of the active metals and the interaction between bimetallic components represents a groundbreaking advancement in heterogeneous catalysis. These insights will significantly contribute to the development of next-generation catalysts for C1 chemistry.
DOI: 10.15151/esrf-es-2256535546
title: Stabilization of cathode-electrolyte interfaces with high-entropy perovskites

description: Interdiffusion at the interface represent the main degradation mechanism of high temperature solid-oxide electrochemical cells. High-entropy perovskite oxides represent a promising way to stabilize and increase conductivity of electrodes, also avoiding the use of critical raw materials. Motivated by our previous studies, we propose to use X-ray microspectroscopy on the B-site cations to study the interaction of four high-entropy La(Ca,Ba)Fe(Mn,Ni)O3-based cathodes interfaced with ceria electrolyte after prolonged operation under working conditions, including electrical load. Applying micro-XANES and micro-XRF, we will investigate cation interdiffusion, oxidation states, and relative stability of four different cathode compositions. The expected results will help to model the stability of the cathode/electrolyte system with respect to composition, and the role of entropy to enhance the crystal chemical stability of the perovskite phase under realistic operating conditions.
DOI: 10.15151/esrf-es-2256542982
title: Monitoring Pt Oxidation and Poisoning at High Temperature Proton Exchange Membrane Fuel Cell Cathode

description: This experiment aims at employing, for the first time, operando X-ray (total) scattering to investigate two crit-ical processes occurring on Pt electrocatalyst at the cathode of a high temperature proton exchange membrane fuel cell (HT-PEMFC): (i) Pt surface oxidation and (ii) Pt poisoning by phosphoric acid electrolyte. The pro-posal relies on the sensitivity of the Pt microstructure to these two processes, as recently demonstrated by our consortium for low temperature PEMFCs (LT-PEMFCs). These observations, carried over a range of various electrode and membrane materials, will allow us to (i) establish the critical cathode potentials for Pt poisoning and oxidation and (ii) correlate them with the electrode and electrolyte properties, thus identifying optimal electrode designs.
DOI: 10.15151/esrf-es-2257659205
title: Synthesis and single-crystal X-ray diffraction characterization of ternary Y-B-O system under high pressure

description: Metal borates, extensively studied in both geoscience and material science, have recently garnered significant attention for their multifunctional optical properties, particularly in the case of rare-earth borates. Here we propose to investigate the crystal chemistry of ternary Y-B-O system up to 200 GPa by single crystal X-ray diffraction (SCXRD) at ID11 beamline, which will allow to produce new compounds and to understand how high pressure can alter their structures in terms of B-O anion polymerization. The main objectives of this proposal are to i) synthesize novel yttrium borates in laser-heated diamond anvil cells (LHDACs), ii) determine their crystal structure in-situ by employing synchrotron SCXRD, iii) establish the produced compounds’ equation of state, find out their stability range.
DOI: 10.15151/esrf-es-2255548727
title: Light-matter strong coupling: the holy grail of spin crossover ?

description: In this proposal, we will study spin-crossover (SCO) nano-cavities operating in the strong light-matter coupling regime. The grand objective is to explore the change of photophysical properties of strongly coupled SCO molecules in optical cavities through the formation of polaritons. We hope to provide robust proof for the role of polaritons in modifying the relaxation pathways of coupled molecules, by characterizing the polariton-enhanced transition yields, excited-state lifetimes, coherent and dissipative phenomena leading to relaxation. While optical methods precluded clear-cut quantitative analysis of such hybrid system, the currently available SCO nano-cavities are amenable to element specific x-ray studies.
DOI: 10.15151/esrf-es-2255549267
title: High-Entropy Design in Organic Semiconductors: A Systematic Study of Anthracene Blends

description: High-entropy materials combine five or more constituents into a single crystalline structure with unique emergent properties. While widely explored in inorganic systems, this concept is only beginning to be harnessed for organic semiconductors (OSCs). We recently demonstrated a proof-of-concept high-entropy OSC formed from a blend of 5 different diphenyl hexatriene derivatives, revealing unexpectedly high crystallinity. Building on this, our proposal targets anthracene-based OSCs to create five-component blends selected from 25 commercially available molecules. Using grazing incidence X-ray scattering (GIXS) at the XMaS beamline, we will systematically screen ~250 distinct formulations to discovering novel high-entropy crystal phases exhibiting enhanced structural order and enhanced electronic properties. By expanding the design space of OSCs and offering a pathway to low-embedded-energy devices, this study paves the way for an entirely new class of organic semiconductor materials.
DOI: 10.15468/dl.a7s3fc
title: Occurrence Download

description: A dataset containing 74 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Rhododendron falconeri"
 ]
}

 The dataset includes 74 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019838-251120083545085/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-2255549793
title: X-ray nano-imaging of the parasite T. gondii: Developing optimised sample preparation and handling for high resolution and high throughput c

description: High resolution multi-modal X-ray imaging, combining X-ray phase contrast and X-ray fluorescence nano-tomography, is now instrumental to target regions
of interest in large organisms or complex samples (CLXEM - CXEM). Cellular electron tomography has shown the importance of studying biological processes directly within the cellular context compared to in vitro purified complexes. However, for eukaryotic organisms the application of this technique is almost entirely confined to isolated cell lines grown on the EM support grid. To overcome this technical limitation, the development of new correlative and integrated imaging approaches aims at studying cellular ultrastructure and sub-cellular molecular processes directly within native multicellular environments. This proposal aims to develop high-throughput sample preparation workflows with a multi-technique sample support to bring breakthrough results in infection biology and new services to ESRF users
DOI: 10.15151/esrf-es-2255550461
title: Magnetic field assisted spin polarized oxygen evolution on spinel ferrites

description: We have synthesized a range of ferromagnetic spinel ferrites which shows a significant magnetic properties at room temperature. We have studied the detailed electrocatalytic properties for the oxygen evolution reaction. Our aim is to induce the spin polarization by applying the external magnetic field and utilize the spin polarization for the catalysis of oxygen evolution reaction. According to that, We have studied the electrochemical oxygen evolution of our synthesized NiFe2O4, CoFe2O4 (and many other ferrites) with and with our external magnetic field (500 mT). The results shows that application of external magnetic field enhances the rate of oxygen evolution significantly. The effect of magnetic field on the mechanism of oxygen evolution is unclear. Understanding the origin of spin polarization and role of spin polarization on the oxygen evolution will help to understand the mechanism
DOI: 10.15151/esrf-es-2255558848
title: PUMA - PUlsed high MAgnetic fields for new functional magnetic materials

description: In the BMBF-funded project ‘PUMA - PUlsed high MAgnetic fields for new functional magnetic materials’ we aim at the identification of new magnetic materials for green-energy applications using a combined experimental and theoretical approach. We will study materials needed for the emerging field of magnetic cooling and permanent magnets, e.g., for efficient energy conversion in electric drives and turbines. To achieve this goal, a new experimental setup shall be implemented at the beamline ID32 of the ESRF. This setup will enable measurements of macroscopic as well as microscopic properties at high pulsed magnetic fields of up to 50 T. We will combine XAS and XMCD investigations with advanced electronic-structure calculation methods. We target a comprehensive insight into the electronic, magnetic, and spectroscopic properties of the materials which allow us to detect trends and further optimization.
DOI: 10.15151/esrf-es-2255560468
title: Local atomic and electronic structure in lead-free halide double perovskites

description: In a recent experiment, we combined HERFD-XANES and Total X-ray Scattering (TS) to characterize the structural response of halide double perovskite (HDP) colloidal nanocrystals (NCs) over a wide temperature range. As the first successful HERFD-XANES experiment on HDP NCs, and given the excellent results and the novelty of this approach in double perovskites, we propose a follow-up experiment to analyze the local structure of atoms at the B sites and its evolution from low to room temperature on new HDP NCs.
DOI: 10.15151/esrf-es-2294212788
title: X-ray Emission Spectroscopy on Pt compounds

description: The aim of the IHR is to see the influence of the Pt valence (0, II) and ligands on the Lalpha1 X-ray emission line energy. Samples will be the references used for experiment a16-1-853
DOI: 10.5281/zenodo.17578060
title: New insights into the skin immune landscape at single-cell resolution during cutaneous infection by an obligate intracellular bacterium

description: This dataset contains single-cell RNA sequencing (scRNA-seq) data from mouse skin samples infected with Rickettsia heilongjiangensis and uninfected control mice.Raw sequencing reads were processed using the 10x Genomics Cell Ranger pipeline to generate gene expression matrices.

After quality control, normalization, and filtering of low-quality cells, the processed data were integrated and saved in .h5ad format. A corresponding metadata.csv file is included, containing detailed sample information and cell-level annotations such as sample source, infection status, and filtering metrics.

This dataset enables exploration of the skin immune landscape during Rickettsia infection at single-cell resolution, providing a valuable resource for studying host–pathogen interactions, immune responses, and skin microenvironment remodeling.
DOI: 10.5281/zenodo.17578059
title: New insights into the skin immune landscape at single-cell resolution during cutaneous infection by an obligate intracellular bacterium

description: This dataset contains single-cell RNA sequencing (scRNA-seq) data from mouse skin samples infected with Rickettsia heilongjiangensis and uninfected control mice.Raw sequencing reads were processed using the 10x Genomics Cell Ranger pipeline to generate gene expression matrices.

After quality control, normalization, and filtering of low-quality cells, the processed data were integrated and saved in .h5ad format. A corresponding metadata.csv file is included, containing detailed sample information and cell-level annotations such as sample source, infection status, and filtering metrics.

This dataset enables exploration of the skin immune landscape during Rickettsia infection at single-cell resolution, providing a valuable resource for studying host–pathogen interactions, immune responses, and skin microenvironment remodeling.