cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15151/esrf-es-2008877803
title: Cross-Sectional Chemo-Mechanics of Aluminium Anodes for Solid-state Batteries

description: The electro-chemo-mechanical behavior of Al anodes in solid-state batteries is not fully understood, making validation of theoretical models challenging. Especially in solid-state batteries, where substantial uni-axial pressure is needed, Al anodes pose difficulties. This proposal aims to quantify changes in cross-sectional microstructure and stress distributions across Al foils with varying hardness during lithiation and delithiation. Cross-sectional X-ray nanodiffraction will characterize Al and LixAl phases, while wide-angle X-ray scattering (WAXS) data will assess phase evolution, crystalline sizes, texture, and strains during lithiation and delithiation at different stack pressures and cycling rates. This experiment will yield quantitative insights into the kinetics of Li alloy formation and the chemo-mechanical behavior of Li-Al alloys under defined stack pressures and currents, relevant for real-world applications.
DOI: 10.15151/esrf-es-2008877879
title: Structure, Interactions, and Dynamic Self-assembly of Tau and Tubulin

description: Tubulin nucleation and microtubule (MT) assembly are frequent events in cells. The mechanisms directing these processes are poorly understood, owing to the size of tubulin and its highly dynamic character. Tau proteins that stabilize MT, are major determinants of cytoskeleton stability. Malfunctions of tubulin and tau are involved in various pathologies including cancer and neurodegenerative diseases. We propose to reconstitute in vitro minimal model systems that mimic these key elements of the cytoskeleton, and follow, in real-time, their coassembled dynamic structures, stability, and interactions. Using SAXS and time-resolved SAXS we will determine the structures and intermolecular forces dictating the various ways tubulin dimers dynamically nucleate, assemble, and interact with one another to stabilize and form MT.
DOI: 10.15151/esrf-es-2008878007
title: In-Situ Nano-Scale Imaging of Thermal Effects on Microstructure Evolution in Mudstones

description: Mudstones are considered an ideal candidate for hosting a Geological Disposal Facility (GDF) due to their exceptionally low porosity and permeability, coupled with a high buffering capacity. However, the integrity of these properties can be compromised by the heat generated from radioactive decay. This heat may cause organic matter within the mudstones to mature, potentially creating new pores, and altering the mechanical properties of the clay matrix. This project, to our knowledge, will be the first time to comprehensively assess and quantify the effects of heat on the pore system with in-situ heating at nano-scale, together with Digital Volume Correlation (DVC) to reveal the nano-scale evolution of mechanical properties of mudstones over temperature. The results will enhance theoretical understanding on mudstone behaviour with increased temperatures for earth history and provide vital data for the engineering design and long-term prediction of many other subsurface applications.
DOI: 10.15151/esrf-es-2008879129
title: Unlocking Zeolite Flexibility: Implications for Improved CO2 Capture

description: This project will assess the adsorption capacity of CO2 and the selectivity of zeolites possessing OFF topology, focusing on the influence of framework flexibility and guest-molecules interactions with extra-framework cations (EFCs). Various OFF-type zeolites of differing dimensions will undergo testing to determine their CO2 adsorption capabilities when exposed to competing molecules such as N2 and CH4 across varying temperatures. The primary objective of this study is to elucidate the relationship between CO2 adsorption and structural flexibility by elucidating the significance of host-guest interactions at the atomistic level.
DOI: 10.15151/esrf-es-2008880446
title: Characterising High-Pressure Superconductivity in the S-Se-H system

description: Following the discovery of high-temperature superconductivity in bcc-H3S, the search for new electron-phonon coupled superconductors has dramatically
 increased for hydrogen-based systems under extreme pressures. Given the high pressures required to form these compounds, research into lower-pressure stable analogs of these compounds is vital. Due to its increased atomic radius, incorporating Se into H3S provides a straightforward route to reducing the pressure in which these compounds become stable. We therefore propose to characterise the structural properties of the S-Se-H system.
DOI: 10.15151/esrf-es-2008716187
title: Multi-scale analysis of juvenile Paranthropus boisei fossils from Kenya

description: This proposal seeks to generate high quality 3D image data sets of two unique early human fossils recently found during fieldwork in northern Kenya. These are a juvenile male cranium with associated partial pelvis and an unrelated juvenile male mandible, both attributable to the species Paranthropus boisei and over 1.5 million years old. Despite the substantial fossil record of this enigmatic hominin species, these juvenile specimens are unprecedented finds. Image data will unlock key aspects of their developmental age and pattern of maturation, the developing brain, the sensory characteristics of hearing and balance, and the biomechanics of bipedal locomotion. The results will make a major contribution to our knowledge of P. boisei, the species with the most extreme adaptations of it jaws in the human evolutionary tree.
DOI: 10.15151/esrf-es-2008717568
title: Symmetry breaking in biogenic crystals: morphing calcite through strain and impurities

description: We will continue our study of strain distribution in coccolith crystals to understand the role of the strain and elemental heterogeneities on asymmetric growth of symmetry-related planes in biogenic calcite. This continuation experiment will be supported by our previous experiment, where optimal conditions for data acquisition were successfully found (Figure 1, LS 3164) and by chemical information obtained using high resolution XRF study of the coccolith crystals on ID16a.
DOI: 10.15151/esrf-es-2008566066
title: In-situ strain relaxation of InGaN/GaN mesa measured by μLaue

description: For the development of efficient μdisplays, CEA-Leti is developing a new “InGaN” substrate. This new substrate is made of a 200 nm InGaN layer which is patterned
into 5 μm mesas. The patterning allows strain relaxation of the InGaN layer, which is the main goal of this substrate. A previous macroscopic study, in our lab, of the
In-plane lattice parameter versus temperature has enabled us to highlight that a second relaxation occurs during the annealing.This relaxation of the InGaN layer
needs to be characterized at a sub-micron scale to better understand the mechanisms of this relaxation. In-situ strain relaxation of InGaN mesa measured by μ-Laue
will help us to better understand the relaxation mechanisms just after the patterning and also what phenomena of relaxation locally happen during the annealing.μ-
Laue in-situ with a beam size around 0.5 μm would appear to be the appropriate experiment to characterise and understand the relaxation of this InGaN layer.
DOI: 10.15151/esrf-es-2008567021
title: Projectome of Bumblebee Mushroom Body

description: Insect brains are exquisite biological microcomputers that allow, in some species, high-precision navigation over miles, face recognition, numerical reasoning and observational learning of actions. The recent studies in fruit fly Drosophila utilized the EM connectomes and genetic tools to reveal how the neural circuits of the Mushroom Body (MB) operate to perform relatively simple associative learning tasks. Here, we propose to discover a comprehensive set of cell types projecting to the MB of bumblebee and identify bee-specific circuit architectures by analysing their projection patterns using X-ray holographic nanotomography (XNH). The resulting “projectome” of the bee’s memory center will be a foundation to pinpoint the key mechanisms of intelligence.
DOI: 10.15151/esrf-es-2008567676
title: Revealing the composition of asbestos bodies in different host organism and asbestos classes

description: In the lungs, asbestos fibers develop a Fe-coating that might enhance the toxicological outcome of asbestos. Revealing the composition of the Fe-coating would help understanding its interaction with the biological tissues and its possible role of the asbestos bodies in the pathogenesis. In previous experiments, we unraveled the composition of several asbestos bodies (asbestos + Fe-coating) from the lung tissue of former workers of an asbestos plant by combining X-ray absorption spectroscopy and X-ray diffraction. 
We now propose to extend the set of samples to lung tissues from subjects with different occupational exposure and from rats exposed to different classes of asbestos (chrysotile, erionite, and crocidolite). This will allow determining if the composition of the asbestos bodies grown on different asbestos classes and in different host organisms is similar. The results will help generalizing the formation mechanisms proposed in our previous works.
DOI: 10.15151/esrf-es-2008418956
title: Unravelling the structure of Zn promoter in Cu/ZnO-based model catalysts for CO2-to-methanol by 1s2p-RIXS under high pressure reaction condi

description: The nature and catalytic role of zinc in Cu/ZnO-based CO2-to-methanol catalysts have long been subject of debate. Specifically, it is speculated whether tetrahedral [ZnO4] or octahedral [ZnO6] constitutes the active sites, and how the degree of reduction of Zn at the ZnOx-Cu interface affects the activity. In both cases, X-ray absorption spectroscopy was used for in situ and operando catalyst characterization, but differentiation of the Zn species is limited. 
Our aim is to perform 1s2p-RIXS, measured at the off-diagonal of the Zn Kα1,2 emission lines, which contains well-distinguishable spectral fingerprints of metallic phases, as well as tetrahedrally and octahedrally coordinated Zn. The proposed beamtime is expected to give qualitative and quantitative analysis of the Zn species in a model catalyst under reaction conditions.
DOI: 10.15151/esrf-es-2008150097
title: 3D characterization of deformation mechanisms of the Achilles tendon enthesis using Texture tomography and phase contrast µCT

description: The enthesis is an insertion site of tendon into bone with a highly complex organization. Gradients in collagen and mineral content, organization and structure across the enthesis at multiple hierarchical levels provide it with exceptional mechanical properties. However, the local deformation mechanisms, especially at the nano- and microscale, are still poorly understood. This is partly due to the difficulties of studying the smaller length scales of this region in 3D. To this end, we propose to use Texture tomography (TexTOM), together µm phase contrast CT to study the mouse Achilles tendon enthesis during in situ mechanical testing to understand both the nano- and microscale deformation and load transfer mechanisms of the enthesis and their relation to the overall response of this interface.
DOI: 10.15151/esrf-es-2008418416
title: Investigation of the charge distribution at the Pt(111)-CO electrochemical interface coupling in situ surface resonant X-Ray Diffraction wit

description: The description of structural and electronic properties at the electrochemical interface is of primary importance for the comprehension of the electro-catalytic mechanisms, a challenging topic for the understanding of the electrochemical reactivity. While surface scattering has become a standard X-Ray technique for the surface atomic structure description, up to now no experimental method allowed obtaining the charge distribution of the catalyst surface and in the electrolyte in the interfacial region.
We recently could demonstrate that, combining in situ Surface Resonant X-Ray Diffraction (SRXRD) experiments and ab initio DFT calculations, it is possible to access the interfacial charge distribution. In order to further develop the potential of our original approach, we now want to investigate the CO adsorption on Pt(111). CO/Pt(111°) represents a challenging system for the use of Pt as a catalyst in fuel cells, due to the known poisoning problems.
DOI: 10.15151/esrf-es-2008418936
title: Tin extraction from granitic intrusions and transport in magmatic-hydrothermal fluids: implications for the formation of Sn(-W) deposits in

description: Sn is a rare metal with very high industrial demand. However, the magmatic-hydrothermal processes that affect Sn mobilization and transport in the deep
 crust and their role in the formation of Sn(-W) crustal deposits are still poorly understood. This is due to the lack of constraints on the ability of volatile phases
 to extract and transport Sn from deep to superjacent environments. This study is aimed at investigating the effect of fluid composition and redox state on the
 partitioning of Sn between granitic magmas and volatiles, and its transport at deep crustal conditions (500 – 850 °C, 0.3-0.8 GPa). Experiments will be conducted
 in a hydrothermal diamond anvil cell (HDAC) combined with SXRF and XAS analysis at BM23/ID24- DCM beamlines.
DOI: 10.15151/esrf-es-2008419682
title: Operando study on Cu-Ni bimetallic catalysts for the production of propanediols from glycerol using in-situ generated hydrogen via aqueous p

description: The combination in one catalytic system of the aqueous phase reforming (APR) reaction of small alcohols to generate in-situ the H2 necessary to the hydrogenolysis (APH) of glycerol is a promising process to produce 1,2- and 1,3-propanediols, which are fundamental for the sustainable manufacture of plastics, drugs, etc. We investigated this process using a series Ni-Cu bimetallic catalysts supported on Mg-Al oxides. The results indicate that the combination of the two metals is vitalto achieve high propanediol selectivity but do not ensure stability. While some insights on this latter issue are available, to date, the precise role of the two metals as well as that of the Mg support in performing APR and APH in a single catalytic system are not clear. Scope of this proposal is to unravel the evolution of the catalytic system under operando conditions, in order to provide a rational on the exceptionally high selectivity of Cu-Ni catalysts while understanding the deactivation mechanism.
DOI: 10.15151/esrf-es-2008420660
title: Surface Structure of Ilmenite (FeTiO3) and the Adsorption of Water

description: In this experiment, we will study the clean (0001) and (10-14) surface structures of ilmenite (FeTiO3) and the water adsorption on these surfaces using surface X-ray diffraction. By measuring crystal truncation rods (CTRs) under ultra-high vacuum conditions, we will be able to determine the near-surface structure and water adsorption-induced structural changes which are relevant for materials processing technologies and solar water splitting.
DOI: 10.15151/esrf-es-2008423265
title: HERFD-XAS and XES study of Ag in PbS

description: In natural deposits, the majority of the Ag enriches sulphide minerals or forms its own phases. The contents of Ag and Sb(or Bi) in galena are often positively correlated. Up to 1.5 wt% of Ag concentrates in the pure PbS, and up to 5 wt% solutes in galena in the presence of Sb(or Bi). Based on the HRTEM, EPMA, and SEM/EDS analyses, in the absence of Sb and Bi, Ag most likely forms solid solution, Ag2S inclusions, or nano-sized inclusions of Ag°. In the presence of Sb and Bi, in most sources, the incorporation of Ag into the PbS structure is accounted for by the coupled isomorphous substitution mechanism 2Pb2+ = Ag+ + Sb(or Bi)3+. However, up to date, there is no spectroscopic data on the state of Ag in galena.
We propose to study natural samples of Ag-Sb and Ag-Bi-bearing galena by recording Ag L3-edge HERFD-XANES and XES spectra of 10 samples, and Sb L3-edge HERFD-XANES spectra for a few selected samples to study the mechanism of Ag-enrichment of galena.
DOI: 10.6084/m9.figshare.27274699
title: Toxicity optimization of green zinc oxide quantum dots in zebrafish using Box-Behnken design: a novel approach for safer nanoparticle synthesis

description: Zinc oxide quantum dots, also known as ZnO QDs, are highly desirable due to their numerous favorable characteristics, such as their beneficial photoluminescence, solubility in water, along with sunlight absorption. They are well-suited for use in biomedical applications, drugs, and bioimaging. However, study on the <i>in-vivo</i> toxicology of these QDs is needed before they can be used in humans. Zebrafish (<i>Danio rerio</i>) are cheap, fast-growing, and similar to humans, which makes them ideal as in vivo model for studying the toxicity of nanomaterials. The toxicity investigations involving zinc oxide QDs (ZnO QDs) and zinc oxide bionanocomposite (ZnO BC) in zebrafish that were concentration-dependent are evaluated, and the Box-Behnken design (BBD) was utilized to optimize the results. To determine the proper dosage, a study on cell line as well as hemocompatibility was carried out prior to testing the toxic effects of ZnO QDs along with ZnO BC upon zebrafish. When administered at 2.5 μg/l of ZnO BC and 2 μg/l of ZnO QDs, neither ZnO BC nor ZnO QDs appeared to be toxic to embryos during hatching and development. The testing of larval behavior in visible light revealed a dose-dependent decrease in both the total diving distance as well as speed. Nevertheless, at ZnO BC and ZnO QDs levels &gt;250 μg/l and &gt;200 μg/l, respectively, notable effects were seen in zebrafish embryos. Hence, ZnO QDs and BC at low concentrations were notably nontoxic. In order to guarantee the safety of nanomaterials in bio applications, this research supports upcoming <i>in-vivo</i> imaging investigations on their harmful effects.
DOI: 10.6084/m9.figshare.27274699.v1
title: Toxicity optimization of green zinc oxide quantum dots in zebrafish using Box-Behnken design: a novel approach for safer nanoparticle synthesis

description: Zinc oxide quantum dots, also known as ZnO QDs, are highly desirable due to their numerous favorable characteristics, such as their beneficial photoluminescence, solubility in water, along with sunlight absorption. They are well-suited for use in biomedical applications, drugs, and bioimaging. However, study on the <i>in-vivo</i> toxicology of these QDs is needed before they can be used in humans. Zebrafish (<i>Danio rerio</i>) are cheap, fast-growing, and similar to humans, which makes them ideal as in vivo model for studying the toxicity of nanomaterials. The toxicity investigations involving zinc oxide QDs (ZnO QDs) and zinc oxide bionanocomposite (ZnO BC) in zebrafish that were concentration-dependent are evaluated, and the Box-Behnken design (BBD) was utilized to optimize the results. To determine the proper dosage, a study on cell line as well as hemocompatibility was carried out prior to testing the toxic effects of ZnO QDs along with ZnO BC upon zebrafish. When administered at 2.5 μg/l of ZnO BC and 2 μg/l of ZnO QDs, neither ZnO BC nor ZnO QDs appeared to be toxic to embryos during hatching and development. The testing of larval behavior in visible light revealed a dose-dependent decrease in both the total diving distance as well as speed. Nevertheless, at ZnO BC and ZnO QDs levels &gt;250 μg/l and &gt;200 μg/l, respectively, notable effects were seen in zebrafish embryos. Hence, ZnO QDs and BC at low concentrations were notably nontoxic. In order to guarantee the safety of nanomaterials in bio applications, this research supports upcoming <i>in-vivo</i> imaging investigations on their harmful effects.
DOI: 10.6084/m9.figshare.28041085
title: Liquid mosquito repellent induces toxic effects in zebrafish

description: Mosquitoes serve as vectors for life-threatening parasitic diseases, presenting a continuous threat throughout human history. This has resulted in the extensive utilization of various mosquito repellents, including liquid mosquito repellents (LMRs), roll-ons, and topical creams. While these products demonstrate significant efficacy, the toxicological implications associated with their use are not yet fully understood and continue to be a subject of debate. The analysis conducted using gas chromatography–mass spectrometry (GC–MS) on LMR revealed the presence of 158 distinct compounds, among which were Piperazine 2,5-dimethyl propyl and a range of hydrocarbons. The analysis of network toxicology indicated that 78 of the examined compounds contravened Lipinski’s rule of five and exhibited considerable overlap with target genes associated with lung cancer pathways, thereby highlighting potential concerns regarding their carcinogenic properties. The exposure of zebrafish embryos to LMR concentrations between 0.1 and 14 µg/mL resulted in developmental toxicity assays that demonstrated a dose-dependent escalation in mortality rates and the occurrence of morphological abnormalities, such as pericardial edema and skeletal deformities. Behavioral assays demonstrated a marked decrease in locomotor activity at elevated LMR concentrations, indicating potential neurotoxic effects. Biochemical analyses revealed elevated levels of reactive oxygen species (ROS), enhanced lipid peroxidation, and diminished glutathione, which are indicative of oxidative stress. Enzyme activity assays indicated a reduction in superoxide dismutase (SOD) and catalase (CAT) activities, alongside an increase in lactate dehydrogenase (LDH) activity, which suggests the occurrence of cellular damage. Analysis of gene expression demonstrated significant dysregulation in genes associated with oxidative stress (SOD1, CAT), inflammatory markers (TNF-α, IL-1β), apoptotic regulators (p53, bcl2), and neurobiological genes (brain-derived neurotrophic factor, bdnf). The results highlight the possible health hazards linked to LMR exposure, which manifest as developmental, biochemical, and genetic alterations in zebrafish embryos.