cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15151/esrf-es-1899602475
title: Heidelberg BAG (HeidelBAG)

description: The HeidelBAG unifies structural efforts of EMBL Heidelberg and the Heidelberg University Biochemistry Center (BZH). Central to all projects are large assemblies involved in chromosome organization and transcription control, in nuclear and cytoplasmic RNA regulation, in translational control by ribosome associated factors, in protein targeting and membrane protein insertion, or in post-translational and RNA modification and processing. Nearly all projects make use of integrated structural biology techniques (MX, SAXS/SANS, NMR, cryo-EM) combined with complementary biophysical and AI approaches. MX remains the essential and invariant tool for high resolution information of challenging functional modules. More and more pathological implications of the studied crucial cellular processes come into focus. In the 1st year of the continued proposal, the BAG reports on 8 publications and 25 PDB entries and many unpublished results.
DOI: 10.15151/esrf-es-1893932078
title: ITABAG: 3D structures of macromolecules related to human health

description: The ITABAG includes structural biologists from Universities, the National Research Council and Hospital research centres in Italy. The laboratories take advantage of single crystal and small angle X-ray diffraction methods to study the structure-function relationships in various macromolecules. A unifying factor for the clear majority of the macromolecules under study is their relationship to human health, either directly, being human proteins involved in some disease, or indirectly, as proteins expressed by human pathogens and validated as potential pharmacological targets. Other projects investigate basic chemical processes, the study of plant viral proteins, or aim at characterising macromolecules with potential biotechnological applications including drug delivery.
DOI: 10.15151/esrf-es-1896700456
title: Austrian Crystallographic Diffraction Consortium

description: The Austrian Crystallographic Diffraction Consortium (ACDC) BAG aims at supporting several macromolecular structural biology groups across Austria (in total
20 research groups at 9 institutions in 4 cities). We employ mainly the technique of X-ray crystallography to characterize macromolecular biological complexes,
but also solution scattering approaches are frequently used to characterize dynamic assemblies. Approval of this BAG will be essential for researchers in all
our groups to carry out their structural studies on various health-related and basic research-oriented topics, which are targeted at characterizing large molecular
assemblies or proteins currently under-represented in the PDB, including membrane proteins. Corresponding high-resolution diffraction data are only obtainable
through the use of synchrotron radiation sources. Thus regular synchrotron access is highly desirable to maintain a competitive advantage in our individual
research fields.
DOI: 10.15151/esrf-es-1976232930
title: Protein dynamics of resurrected ancestral enzymes studied by crystallography

description: Adaptation of organisms to environmental niches is a hallmark of evolution. One prevalent example is that of thermal adaptation, where in two descendants evolve at
different temperature extremes. How dynamical changes due to adaptive mutations are allosterically propagated to the active site, to modulate activity, in different
thermally adapted enzyme is not known. To address this question we analyze the properties of resurrected ancestral enzymes engaged in a thermal adaptation route
we recapitulated. We will solve the crystal structure several billions-years old enzymes and we will explore their dynamical properties following X-rays data
collection at various temperature. We expect describing the evolutionary-driven reorganization of contacts network that are required to conserve appropriate
conformational stability and efficient functional dynamics during the early steps of an enzyme adaptive process.
DOI: 10.15151/esrf-es-1959725713
title: Probing XMCD on all the magnetic phases of CrPS4 bulk crystals

description: CrPS₄ is a van der Waals (vdW) material with notable magnetic properties, including layer-dependent ferromagnetism, air stability, and a relatively high transition temperature. However, its bulk electronic and magnetic properties still require further investigation. During this day of in-house experiments, we will complete the XMCD characterization of the bulk material across all four of its magnetic phases (i.e., the low-field spin-flop transition and the high-field spin-flip ferromagnetic transition) in both normal incidence and grazing geometries.
DOI: 10.15151/esrf-es-1992603805
title: Phase and diffraction contrast tomography of slip localization in In718 superalloy

description: Phase and diffraction contrast tomography of slip localization in In718 superalloy
DOI: 10.15151/esrf-es-1935460150
title: Functionalized metal-organic frameworks for efficient ethanol to butanol conversion

description: In the last years, n-butanol has gained increasing attention due to its potential to act as biofuel and to mitigate the environmental impacts associated with transportation. Despite its advantages, there are still challenges that need to be addressed and research and development efforts continue to focus on improving the production efficiency and economic viability of butanol as a biofuel. In this project, we have benefited from reticular chemistry and we have inserted catalytic Pd sites in the pores of the well-known UiO-66 MOF. While our compounds are able to catalyse the ethanol to n-butanol reaction, the available techniques do not allow to determine the precise role of the catalytic sites and the reaction mechanisms. Thus, we propose to use X-ray Absorption Near Edge Structure (XANES) and Powder X-ray Diffraction (PXRD) to gain structural information (quantification of PdII and Pd0 atoms, determination of their environments, etc) on our MOFs.
DOI: 10.15151/esrf-es-1935461659
title: Structural diversity of low-dimensional hybrid organic-inorganic perovskites

description: Over the past decade, hybrid organic-inorganic perovskites (HOIPs) have received significant attention because of their extraordinary properties as active layer in perovskite solar cells (PSC). HOIPs can be prepared with their inorganic frameworks spanning the whole range of dimensionalities: 3D, 2D, 1D and 0D. 2D HOIPs are currently receiving increased attention because of their generally enhanced material stability compared to their 3D counterparts and their much higher degree of compositional flexibility. However, the current research on low-dimensional HOIPs is still in its infancy and a deep fundamental understanding and control over triggers of the crystal growth mechanism acting in low-dimensional HOIP formation is still lacking.
DOI: 10.15151/esrf-es-1992557747
title: XRR and GID characterization of 2D materials (without reactor)

description: In-house research on the 2D materials on solid substrate
DOI: 10.15151/esrf-es-1933833300
title: Lattice Distortions in Protein Superstructures

description: Solid assemblies of organic compounds often include some inevitable misfit between constituents, giving rise to geometric frustration. This may result in tendency to form filaments, lattice distortions and large morphological variations during the growth of the assembly. In this project, we already applied the BCDI method (ID01) to follow the evolution of lattice distortions in a slender protein single crystals formed by a living organism. However, due to the slender nature of the filament, this successful experiment provided us with only strain tensor in a cross-section of the filament at different heights. We apply for ID13 micro-beam experiment to follow the evolution of average lattice distortions in 3D and to complete the project. This will not only provide the first experimental evidence to geometric frustration in protein crystals, but will also demonstrate the role of spontaneous processes in biological tissue formation.
DOI: 10.15151/esrf-es-1933834510
title: THE MAP OF DETOXIFICATION OF MANAGNESE AND NICKEL IN MICROALGAE

description: The aim of this continuation is to complete the spatial and temporal aspects of adaptation of microalgae to Mn and Ni pollution. The process of uptake of Mn has been examined during the proposal EV-529. Now, our objective is to understand the trajectory of Ni ion movement between extracellular barriers and organelles within microalgal cells in response to Ni excess. Considering that real-world wastewater scenarios often involve the coexistence of both Mn and Ni, we plan to map samples exposed to both elements to investigate if their concurrent presence induces changes in the mode of accumulation. XRF is indispensable for intracellular metal mapping, facilitating the localization of Ni and Mn by identifying cellular compartments based on the known distribution of elements (P, Ca, Fe, Cl, S, Zn). Understanding the mechanisms of adaptation will contribute to the development of microalgae-based biotechnologies for wastewater treatment and metal recovery.
DOI: 10.15151/esrf-es-1992595553
title: Microelectronic Components Charge Density vs. Temperature in Real Time

description: The objective of this proposal is to investigate the temperature dependence of charge density in microelectronic components under the action of pulsed X-ray as an alternative source that induces SEE. The main focus is on understanding how temperature affects charge density, since thermal generation of charge carriers increases with increasing temperature, which leads to an increase in the number of free carriers (electrons and holes) due to excitation from the valence band to the conduction band. Therefore, the number of SEE should increase with increasing temperature and lead to failure of the component.
DOI: 10.15151/esrf-es-1996449426
title: Collection of some model compounds.

description: In this experimental session we will collect XAS spectra from different model compounds in order to carry out the analysis of previous data.
DOI: 10.15151/esrf-es-1912247699
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-1933196599
title: Spatial characterisation of the soft tissues preserved in new natural mummies from the Quercy, France: 35 Myo chiropteran heads

description: The Quercy phosphorites are one of the very rare fossil deposit that yielded tetrapods with soft tissues fossilised in their alive body-dimensions (or "natural mummies").Preserved in calcium phosphate, reproducing tissues at their finest resolution, these mummies have proven great interests to document the paleobiology of these lineages, in particular through their analyses in PPC-SRμCT. Recently, a new set of Quercy mummies was reported: heads of 35 Ma bats with their soft tissues. Representing the first mammalian instance of this preservation, we undertake to finely characterize the morphology of their hard and soft tissues, including to the ultrastructural level.Using PPC-SRμCT, we will analyse how the rhinarium and auditive areas inform on echolocation strategy of these extinct bats. We will secondarily acquire scans at higher resolution on specific areas of the preserved tissues (ex: skin, tongue muscles) to assess their degrees of ultrastructural preservation (glands, cells).
DOI: 10.15151/esrf-es-1932619176
title: An in-situ XAS study of A-site doped ruthenium-based pyrochlores for the oxygen evolution reaction

description: Developing stable, highly active electrocatalysts for the oxygen evolution reaction is necessary to make water electrolysis economically viable. The current state-of-the-art catalyst, IrO2, is far too expensive and cheaper materials must be utilized. Through a novel synthesis route, we have developed a Y2Ru2O7 pyrochlore which outperforms IrO2 in terms of activity. However, it suffers from stability issues and poor conductivity. Doping the pyrochlore with Pb, Sr or Zn may result in increased Ru-O-Ru orbital overlap, which can both improve the conductivity and the stability of the material. Performing in-situ measurements of the bond lengths as well as the oxidation state during electrochemical operation will reveal how stable the doped electrocatalysts are under actual operation. The most suitable dopant can therefore be chosen to solve the stability issues preventing Y2Ru2O7 from replacing IrO2 as the state-of-the-art OER catalyst.
DOI: 10.15151/esrf-es-1931737108
title: Structure and in-cellulo stability of NIR-emitting Ag2S-based quantum dots

description: Silver sulphide (Ag2S) quantum dots (QDs) are semi-conducting nanocrystals with optical properties of great interest for biological applications including a
broad absorbance spectrum and tune-able NIR emission that falls within the biological transparency window. However, prior to any in-vivo or clinical applications,
their stability in biological systems and biocompatibility must be fully investigated. We have developed a panel of Ag2S with differing sizes and optimised optical
properties. Via XAFS, we intend to study the local structure of silver in these QDs in both aqueous media and cellular models, including 3D cell cultures that mimic
the liver. This information in conjunction with the photo-physical characterisation and cytotoxicity assays will help us not only understand the effects of the reaction
conditions on the structure and optical properties but enable us to propose the best formulations for the further development of nano-platforms for theranostic
applications.
DOI: 10.15151/esrf-es-1931737652
title: Insight into the hydrothermal and chemical stability of Cu-LTA zeolites for NOx abatement by NH3-SCR

description: Cu-CHA zeolite is the state-of-the-art commercial catalysts for NH3-SCR, showing excellent low temperature activity and selectivity coupled to good hydrothermal stability, but it suffers from SO2 poisoning. Starting from the knowledge acquired on this catalyst, we aim to study Cu/LTA zeolites, which have been shown to have even better hydrothermal stability. High Si/Al ratio Cu/LTA, fresh and aged at high temperature (750 and 900 °C), will be characterized by operando XAS during thermal activation (including wet conditions for the fresh ones), followed by exposure to NH3-SCR reactants, to get information on Cu speciation in different temperature and reactants conditions, NH3-SCR reaction mechanism and effect of SO2 poisoning
DOI: 10.15151/esrf-es-1931738030
title: Multiscale characterization of dental enamel affected by hypoplastic subtype of Amelogenesis Imperfecta

description: Amelogenesis Imperfecta(AI) is a group of heterogeneous genetic disorders, which affects the genes responsible for enamel formation, which, in turn affect the development and quality of dental enamel. Subclassifications of AI include hypoplastic, hypomature or hypocalcified depending on the protein affected. The hypoplastic AI is the most frequent type of AI caused by mutations of proteins (e.g.AMELX) or are due to mutations in larger master genes (e.g.FAM20A). Having identified areas with disrupted enamel on labial and lingual regions of enamel by laboratory X-ray microtomography we intend to conduct 2D µ-XRD mapping of 5 hypoplastic AI and 4 control teeth. Following acquisition of data on the XMaS, we will perform SEM imaging on each specimen, allowing correlation data obtained from SXRD and XMT. We will be able to compare and contrast the crystallite disruption and pathogenicity observed previously with hypomature AI. Thereby establishing a multiscale genotype-phenotype correlation.
DOI: 10.15151/esrf-es-1930999865
title: Application for Renewal of Shock-BAG beam time at ESRF

description: This proposal concerns renewal of the Shock block allocation group (BAG). As a reminder, the purpose of the Shock BAG is to coordinate and promote access to high-resolution X-ray imaging to further study of materials under rapid and extreme loading. The BAG pools together shared equipment, personnel and expertise to underpin and enhance the science at the intersection of X-rays and dynamically-compressed matter. Thus far, the BAG has successfully operated 4 run periods, focusing on the already established single-stage gas-gun, compression Hopkinson bar, and pulsed laser. These first campaigns enabled the research of over 15 independent teams, thereby sharing the overhead in setting-up and tearing-down, and helping ensure good quality data was obtained. This renewal seeks to extend the Shock BAG to enable support of emergent techniques identified in the original proposal, such as pulsed power- and explosive-drive, which share similar challenges and diagnostic needs.
DOI: 10.15151/esrf-es-1933206770
title: Study of binary Fe-FeO system using laser-driven dynamic compression

description: Oxygen is believed to be one of the main light element alloyed with iron in the Earth's core. It is therefore crucial to constrain the liquid Fe-O alloys properties over pressure of 200 GPa. In this frame, the present proposal aims at using XANES and EXAFS diagnostics to constrain the local atomic arranegment, as well as the spin state of Fe as function of pressure temperature and O content. In addition, Plasma Vapor Deposited targets are more and more common for high repetition rate shock compression experiments. Better characterizing the use of PVD targets is crucial for the future of shock compression studies on large-scale X-ray facilities.
DOI: 10.15151/esrf-es-1934082974
title: The local structure of Mn2+-doped Cs2(Na1-xAgx)InCl6 compounds.

description: The aim of the proposal is to carry out pair distribution function (PDF), XANES and EXAFS analyses on Mn-doped halide double perovskites (HDPs), in form of bulk and nanocrystals, characterised by persistent luminescent (PeL). Remarkably, PeL disappears at room temperature (RT) moving from bulk to nano-structured samples in Mn2+doped Cs2(Na1-xAgx)InCl6 compounds. The origin of this behaviour has not yet been explained and our proposal aims to shed light on this phenomenon. The PeL is due to traps, that could be local structure defects. So, an in-depth characterization of the local structural properties by EXAFS and PDF is required to reveal how the structural defects change from bulk to nano, impacting PeL. Moreover, given that PeL is influenced by temperature, XAS could give us meaningful information at low and high temperature. Adding this info to our existing knowledge will enable us to achieve PeL in nano halide perovskites, with greater applicability.
DOI: 10.15151/esrf-es-1958045745
title: Se K-edge RIXS tests

description: Se K-edge RIXS tests
DOI: 10.15468/dl.25z9a7
title: Occurrence Download

description: A dataset listing the 10633 species recorded in GBIF matching the query:
{
 "DatasetKey" : [
 "is EOD – eBird Observation Dataset"
 ]
}

 The dataset's 10633 records were derived from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013888-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.adws3z
title: Occurrence Download

description: A dataset containing 57389 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((89 31.5,102 31.5,102 36,89 36,89 31.5))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Plantae",
 "Year 1901-2024"
 ]
}

 The dataset includes 57389 records from 78 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013901-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.jajwgb
title: Occurrence Download

description: A dataset containing 14743 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Colombia",
 "TaxonKey is Iguana iguana (Linnaeus, 1758)"
 ]
}

 The dataset includes 14743 records from 252 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013903-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ksmnmp
title: Occurrence Download

description: A dataset containing 3178 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Cinnamomum camphora (L.) J.Presl",
 "HasCoordinate is true",
 "BasisOfRecord is Specimen"
 ]
}

 The dataset includes 3178 records from 188 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013904-241126133413365/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.13145/bacdive4588.20251217.10
title: Escherichia coli (Migula 1895) Castellani and Chalmers 1919

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive4589.20230509.8.1
title: Escherichia coli (Migula 1895) Castellani and Chalmers 1919

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.15156/bio/sh0072792.10fu
title: SH0072792.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.13145/bacdive4589.20251217.10
title: Escherichia coli (Migula 1895) Castellani and Chalmers 1919

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.
DOI: 10.13145/bacdive4590.20250331.9.3
title: Escherichia coli (Migula 1895) Castellani and Chalmers 1919

description: The range of data encompasses taxonomy, morphology, physiology, sampling and concomitant environmental conditions as well as molecular biology.