cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.21227/pngr-dr67
title: CRWB: A Multilingual Ontology and Knowledge Graph for Recipes

description: In recent years, the fusion of artificial intelligence and semantic web technologies has paved the way for innovative approaches to managing and utilizing information. With the growing demand for structured gastronomical data, there is a need for well-defined ontologies that facilitate recipe organization, ingredient classification, nutritional insights, and personalized diet recommendations. The dataset presents a multilingual recipe ontology and knowledge graph, capturing critical relationships between ingredients, nutrition, cooking actions, and recipe planning. Our ontology supports interoperability across different languages (English, Hindi, and Japanese), facilitating AI applications such as ingredient substitution and personalized recommendations. The proposed knowledge graph leverages semantic web technologies to enhance structured data accessibility and machine-readable representations, ultimately contributing to computational gastronomy and food informatics.
DOI: 10.15468/dl.xgww87
title: Occurrence Download

description: A dataset containing 2872 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Sesamum indicum L.)",
 "BasisOfRecord is one of (Specimen, Human Observation, Observation, Living Specimen, Machine Observation, Literature Occurrence)",
 "Geometry POLYGON((-180 -90,180 -90,180 90,-180 90,-180 -90))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1945"
 ]
}

 The dataset includes 2872 records from 207 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0003340-250227182430271/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.s9xx7v
title: Occurrence Download

description: A dataset containing 133308 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Hirundo rustica Linnaeus, 1758, Acridotheres cristatellus (Linnaeus, 1758), Pycnonotus sinensis (Gmelin, 1789))",
 "Continent is Asia",
 "Country is China",
 "HasCoordinate is true"
 ]
}

 The dataset includes 133308 records from 31 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0003290-250227182400228/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-2092459008
title: Phase mapping of historical pigments and mortars

description: X-ray diffraction and fluorescence mapping of certain historical pigment and mortar samples found in Pompeii for investigation of their constituent phases and the distribution of such.
DOI: 10.15151/esrf-es-1949141253
title: Bridging the gap between cellular and whole body imaging using Hierarchical Phase-Contrast Tomography: HiP-CT

description: Humans and other large organisms are three-dimensional multiscale biological systems where large scale function and structure are dependent on the macrostructure’s interconnectivity down to the cellular and subcellular level. Using the exceptional coherence provided by the ESRF-EBS, we have demonstrated that propagation-based phase-contrast can effectively decouple resolution from specimen size in soft tissue, obtaining 1.4 micron voxel resolution in 150 mm diameter human organs. Through this Long Term Proposal (LTP) we will develop the techniques required to image whole human and animal bodies ex vivo at 25 micron resolution, zooming to sub-micron voxels (0.7micron) locally, resolving sub-cellular structures through hard- and soft-tissue. Resolving how the micro (sub-cellular) interacts with the macro (whole organism) across length scales will provide all new insights into biological and biomedical function. This is true for both healthy and pathological system level behaviour.
DOI: 10.15151/esrf-es-2010116502
title: Bone Under Pressure: Investigating Micromovement Induced by Dental Implant Loading

description: Approximately 12 million dental implants are placed globally each year, with almost 50% experiencing complications related to bone loss. Progressive bone loss can lead to implant failure and its associated consequences. While it has historically been associated with the bacterial biofilm on the implant, emerging evidence from previous in vitro experiments conducted by our group at the ESRF suggest that biomechanical factors, such as particle abrasion from the implant and/or the elastic and plastic deformation of the implant upon loading, might also influence the biological changes of the adjacent tissue. To the best of our knowledge, the phenomenon of micromovement of dental implants within human bone remains unexplored. Consequently, this proof-of-concept study aims to investigate the mechanisms induced in the surrounding bone of osseointegrated implants subjected to varying loads using synchrotron-based tomography.
DOI: 10.15151/esrf-es-2036102448
title: On the cooling rate effect on the liquid-liquid transition of ionic liquids

description: The liquid-liquid transition (LLT) is a captivating process where one liquid transforms into another via a first-order transition. Ionic liquids (IL) are a class of systems with excellent glass-forming ability. In recent years, some studies have successively reported LLT in ionic liquids, providing evidence based on thermodynamics, kinetics, and structure. Here, we intend to simultaneously employ small-angle X-ray scattering (SAXS) and wide-angle X-ray scattering (WAXS) to characterize the structural evolution of LLT in ILs. Our emphasis will be on investigating the effect of the liquid cooling rate on the LLT dynamics.
DOI: 10.15151/esrf-es-2036158838
title: Determining the Ru speciation in a highly-active catalyst with low Ru-loading by EXAFS and XANES

description: We synthesised a Ru/MCM-41-structured aluminosilicate catalyst by employing N-heterocyclic carbene (NHC) ligated RuAbstract:
complexes as precursors. Our final catalyst is extremely active for the C-O bond hydrogenolysis of diphenyl ether under mild conditions but
does not contain visible nanoparticles in HR-TEM imaging, suggesting the presence of sub-nanometer clusters or atomically dispersed Ru
species. Due to the low loading of the catalyst (0.05 wt%), typical techniques for analysis of Ru speciation, such as XPS and XRD, are not
applicable. Our proposed synchrotron work will investigate the electronic configuration of our catalyst using extended X-ray absorption fine
structure (EXAFS) and X-ray absorption near-edge structure spectroscopy (XANES) to determine the speciation of the Ru and give us insight
as to why our catalyst is so active and how it functions.
DOI: 10.15151/esrf-es-2009544772
title: Study of local ordering effects in irradiated VNbMoTaW by means of EXAFS.

description: Refractory high entropy alloys (RHEAs) have shown great potential to be used for material renewal in harsh environment industries and applications in space, accelerator physics and nuclear energy due to the superior stability and toughness at high temperature that surpass Ni-based super alloy. However, the radiation resistance underpinning mechanism is still an open question and requires a detailed understanding of the atomic-scale interstitial-defect-lattice interactions. Extensive theoretical and experimental studies are currently underway to understand and harness the role played by structural short range ordering to VNbMoTaW RHEA. In particular, state-of-the-art atomistic simulations predicted element specific local ordering and this proposal aims to confirm through EXAFS characterisation its existence and behaviour as a function of heavy self-ion irradiation fluence in the random system.
DOI: 10.15151/esrf-es-2009918542
title: Multi-Bragg Coherent X-ray Diffraction Imaging during in-situ Nano-indentation of twinned Au crystal.

description: Defects in crystals have a critical influence on the propertie of nanocrystals, where a single defect can completely change the properties. Due to the proximity
of surfaces, the energy and mobility of defects in nano-objects are borne to be very different from that of the bulk. We propose to perform in-situ nano-indentation
experiments, using a custom-built AFM, on single twinned Au crystals coupled with multi-Bragg Coherent X-ray diffraction Imaging (BCDI), simultaneously
measuring symmetric as well as asymmetric Bragg peaks that are sensitive to the different parts of the twinned crystal. The planned in-situ BCDI measurements
will allow for directly visualizing the influence of the twin boundary acting as dislocation source/sink or more or less permeable barrier.
DOI: 10.15151/esrf-es-2009918726
title: Towards microsecond XPCS at the ESRF

description: The objective of this proposal is to provide instrumentation which facilitates measuring microsecond dynamics of radiation-sensitive samples such as protein systems via multi-speckle X-ray photon correlation spectroscopy (XPCS) at the ESRF-EBS. We propose to purchase and integrate an XSPA RIGKAU detector for the new coherence flagship beamline ID 18 at ESRF-EBS making ideal use of the increased coherence properties of the EBS. The XSPA detector provides a sustained frame rate of 56 kHz. Running the detector in a special burst mode with lower duty cycle it is possible to trace dynamics as fast a microsecond – a time scale typical for diffusion of proteins on the nanoscale in dense cellular environments. We plan to test the new instrumental XPCS capabilities first at ID10 and ID02 including commissioning and implementation for user experiments. With the completion of ID18 we will transfer it to the new beamline. The detector will be bought from an already secured BMBF grant.
DOI: 10.15151/esrf-es-2009919718
title: High temperature kinetics of alumina-magnesia reactive sintering for innovative refractory ceramics

description: The aim of this proposal is to investigate at very high temperatures the effect of the used raw materials on the kinetics of in situ reactive sintering of alumina and magnesia to form improved spinel-based and ultra-low cement content refractory ceramics of interest for the steel industry. In particular, we aim to understand the effects of the shape and of the crystallographic nature of the used alumina powder in the reactive process, and the thermo-mechanical behaviour of the final material at temperatures up to 1500°C.
DOI: 10.15151/esrf-es-2013713009
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-2009725331
title: Role of cobalt in photoelectrochemical oxygen evolution reactions at Fe2O3-CoPi photoelectrodes

description: This project aims to understand how Fe2O3-CoPi photoelectrodes work for photoelectrochemical water splitting. There are three different models about how cobalt in these electrodes contributes to the reaction, in particular, hole accumulation, participation forming Co(IV) intermediates at the cobalt oxyhydroxide surface and/or additional absorption of light with subsequent shifting of the electronic density from Co to oxygen radical. By measuring small differences in Co and Fe K-edge XAS spectra induced by light modulation in situ at photoelectrochemical conditions we would like to disentangle these mechanisms and find the dominant one. This will help improve the design of these photoelectrodes and find directions for more efficient hydrogen fuel production.
DOI: 10.15151/esrf-es-2009727023
title: Reconstructing a neural circuit in the spinal cord mediating nocifensivebehavior with X-ray nanotomography and electron microscopy

description: Animals sense painful stimuli through specialized sensory neurons on the skin and generate nocifensive behaviours to protect themselves from severe injury.
 Specialized sensory neurons carry nociceptive information to the central nervous systems (CNS) locates in the spinal cord dorsal horn to trigger avoidance
 behaviour. Recently, our lab identified a distinct class of sensory neurons (called Smr2+ neurons due to the unique expression of the gene Smr2) whose activation triggers nocifensive behaviour in mouse (unpublished data). We propose combining the X-ray phase contrast nanoscale tomography with electron microscopy to fully reconstruct the local neural circuitry involving Smr2+ sensory neurons in the spinal cord. Identifying the CNS neurons that process nociceptive information from Smr2+ neurons will represent a major step toward understanding how pain is sensed and processed by the nervous system.
DOI: 10.15151/esrf-es-2009727914
title: Mapping different quantum phases in CuxTiSe2 as a function of Cu intercalation

description: The 1T-TiSe2 system displays unique quantum phenomena such as charge density wave (CDW), excitonic insulating (EI) state instabilities and superconductivity. Recently, phase separation in the electronic structure of Cu-intercalated TiSe2 was found below the CDW transition temperature (~200 K). Here, we propose to study the domain dependent local structure of CuxTiSe2 through space-resolved x-ray absorption spectroscopy (XAS) to characterize these different phases for their valence electronic states as a function of Cu intercalation. The plan is to study single crystal samples with different fractions of Cu, yielding different CDW patterns, in order to obtain comprehensive information on the phase separation and characteristics of the individual phases in these materials. With the proposed approach we expect to derive a quantitative correlation between the electronic structure, CDW, EI state and superconductivity in 1T-TiSe2.
DOI: 10.15151/esrf-es-2009540409
title: High-resolution X-ray absorption spectroscopy for improved management of critical-metal geo-resources: probing the gold-thallium coupling in

description: Pyrite is the major sulfide mineral on Earth hosting a plethora of precious and critical trace metals. They are often coupled with thallium that might act as ore pathfinder. On the other hand, the presence of Tl, a harmful pollutant, strongly devaluates sulfide ore and poses environmental threat. To manage such metal resources, we need to know the speciation of trace elements in the mineral to understand their genetic relationships and mechanisms of coupled uptake and release. Here, we will use high-energy resolution fluorescence detection X-ray absorption spectroscopy to determine the structural and redox state of both Tl and Au in the same samples of pyrite from ore deposits and their synthetic analogues prepared at controlled laboratory conditions. This experiment will allow the factors controlling common Au and Tl enrichment in and release from pyrite to be identified. The data will help more efficient and safe prospection and treatment for gold and associated critical metals.
DOI: 10.15151/esrf-es-1901542709
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-2009539993
title: Tunable Periodic Screw Dislocation Networks in Twisted SrTiO3 Thin Layers Transferred onto SrTiO3 Substrate via Wafer Bonding

description: Twisted perovskites represent a novel class of materials that enables a variety of fascinating novel applications in the field of nanoengineering. In the present proposal, we aim to investigate epitaxial SrTiO3 thin films that are deposited on SrTiO3 substrates by means of layer transfer and subsequent wafer bonding. The aim is to create a periodic screw dislocation network by depositing the thin films in an intentionally and controlled twisted orientation in relation to the substrate. We intend to verify and structurally investigate this dislocation network as a function of the twist angle by means of 2D grazing-incidence in-plane X-ray diffraction and 3D out-of-plane X-ray diffraction.
DOI: 10.15151/esrf-es-2009540925
title: Advances in the fundamentals of corrosion in molten chloride salts using high resolution X-Ray Diffraction and XANES in the HERFD mode

description: Chloride molten salts are being investigated for use as a fuel matrix in Molten Salt Reactors. However, their highly corrosive nature poses significant risks to the structural materials. Initial experiments (proposal A20-1-864) have demonstrated the dissolution of alloying elements such as Cr and Fe into the salt after a short exposure of Ni-based alloys. While most studies in literature have focused on studying the alloys composition and microstructure after exposure, there is a surprising lack of attention to the fuel salts composition, despite the evident impact on fuel thermophysical properties, and significance for the understanding of the corrosion mechanisms. The objectives of this work are (i) to gain a fundamental understanding of the effect of the salt redox potential; (ii) to broaden the materials selection; and (iii) to study the corrosion kinetics. To this end, complementary investigations will be performed using high resolution XRD and XANES in the HERFD mode at BM20.
DOI: 10.15151/esrf-es-2009542396
title: Electro-Chemo-Mechanics of Si Single Crystal Litiation: Operando Tracking of Strain, Mosaicity, Phases and Microstructural Evolution in Soli

description: The main goal is to analyze Si structural transformations during lithiation using Dark Field X-ray Microscopy at ID03. Despite silicon anodes' technological potential, our understanding of electro-chemo-mechanical phenomena, including strain formation, new phase evolution, amorphization, and re-crystallization, is limited during charge and discharge cycles. This experiment will develop an operando cell with coarse-grained Si crystallites for ID03. Using near- and far-field detectors, individual Si crystals will be selected, and their structural transformations during lithiation will be tracked. The key inquiry is identifying initiation points and assessing homogeneity across individual Si single crystals. The overarching aim is to address strain- and transformation-related challenges hindering silicon's performance in next-gen solid-state batteries (SSBs).
DOI: 10.15151/esrf-es-2009542543
title: Enhancing Solar Cell Efficiency through Polaron Dimension Control Induced by Structural Distortion in Bi-Doped CsPbI3

description: CsPbI3 exhibits remarkable performance in photovoltaic cells, yet maintaining phase stability under ambient conditions remains a primary challenge. To tackle this, we enhance phase stability through Bi-doping. The ionic and soft nature of the perovskite structure induces crystal lattice polarization and distortion around an injected charge carrier, forming a polaron quasiparticle. Polarons in perovskite solar cells significantly impact charge transport and recombination dynamics, influencing overall device performance. Researchers aim to optimize polaron dynamics, striking a balance between charge transport and recombination to enhance efficiency. Employing appropriate techniques is crucial to correlate structural distortion and polaron state. Our objective is to identify structural changes in illuminated Bi-doped CsPbI3, revealing varying solar cell efficiency based on Bi concentrations, and establish the relationship among Bi concentration, structural distortion, and polaron state.
DOI: 10.15151/esrf-es-2009542654
title: 3D mapping of macrozones in Ti alloy using texture tomography

description: Ti alloys are known to develop spatially varying, distinct crystallographic textures over macroscopic material volumes as a result of thermo-mechanical processing. The presence of these so-called macrozones and associated variability of mechanical properties can lead to premature failure in critical engineering applications. So far, the characterization of 3D local texture can only be tested with destructive methods based on repeated EBSD characterization. 
Here we propose to map the local texture in 10 mm^3 sized volumes of two commonly used Ti alloys, known to contain macrozones spanning several hundreds of µm using the wide angle (WAXS) extension of the tensor tomography methodology, initially established for small angle scattering (SAXS) and bio-materials. Two different reconstruction approaches (hyperspherical harmonics) versus regular sampling of orientation space will be evaluated against each other, and the results will be cross-validated against serial sectionning and EBSD.
DOI: 10.15151/esrf-es-2009543208
title: Rapid acquisition of operando X-ray point diffraction on LMFP Li-ion coin and pouch cells in through plane geometry

description: The development of novel cathodes is vital to the design of batteries. LiMnxFe1-xPO4, (LMFP) cathodes are a particularly promising candidate for boosting the energy density and safety towards next generation Li-ion batteries. Preliminary operando lab XRD study on LMFP pouch cells shows that the LMFP electrode undergoes complex solid solution and phase transition mechanisms during the delithiation process. Utilizing the ID15A beamline, we expect to be able to thoroughly study the energy storage mechanisms of LMFP cathode material at different C-rates (C/3 to 3C) with different thickness (40 and 80 μm) of electrodes. Moreover, we expect to map the SoC through the thickness of the electrode by performing rapid acquisition X-ray point diffraction that performs a vertical raster through the electrode collecting operando 2D diffraction patterns, detailing how the lattice response changes during the cycling of cells with different thickness electrodes and different ageing stages.
DOI: 10.15151/esrf-es-2009545652
title: Exploring mesoscopic microstructural ordering in non-stoichiometric La2NiO4+d

description: La2NiO4+d is a performant oxygen ion conductor already at room temperature. During the electrochemical oxygen uptake/release reaction, a complex twin domain structure, anti-phase boundary domains and mesoscopic domain ordering is observed. The understanding of domain ordering for interface diffusion is mandatory to better understand diffusion processes at the interface. We propose here a controlled electrochemical reaction to explore in situ the formation of the domain structure and up to which extend domain sise and ordering periodicities depend on the current densities applied.