cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15151/esrf-es-644088229
title: Austrian Crystallographic Diffraction Consortium

description: This proposed Austrian Crystallographic Diffraction Consortium (ACDC) BAG is to support various macromolecular structural biology groups across Austria (totally 15 research groups at 8 institutions in 5 cities). We employ mainly the technique of X-ray crystallography to characterize macromolecular biological complexes. Approval of this BAG will be absolutely essential for researchers in all these groups to carry out their structural studies on various health-related subjects, 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-644135110
title: Structural Biology of Macromolecules and Macromolecular complexes from India

description: Structural biology research groups located in India constitute the INDIA-BAG and will utilize MX, SAXS and CryoEM to study different biological macromolecules. Together, these groups address multiple pathways in animals, plants, bacteria and fungi. These studies will provide fundamental mechanistic insight regarding different processes critical for the survival and propagation of the relevant organism. Many groups in the BAG study proteins from pathogens to identify novel intervention points that can be the targeted with small molecule inhibitors to inhibit the growth of the corresponding infectious agents. There are more than 50 groups that are part of this BAG and the allocated beamtime will be available for over 500 young researchers. A brief description of all the research groups is provided in the global summary and a summary of the research contributions involving data collected at ESRF is provided in the last BAG report.
DOI: 10.15151/esrf-es-646013747
title: Munich Crystallography BAG

description: The diverse groups of the Munich Crystallography BAG study a far range of subjects, reaching from structural aspects of fundamental cellular processes - such as RNA processing, protein folding and degradation, DNA repair, chromatin remodelling, enzymes - to the design of foldamers. The research groups are located at the LMU and TUM universities in Munich, at the Max-Planck-Institute of Biochemistry, Martinsried, and the Helmholtz Center, Neuherberg. Out-groups are located at the universities in Darmstadt and Ulm, Germany. The research groups use X-ray crystallography, single-particle cryo-EM, SAXS, NMR and HDX and XL-MS mass-spectrometry for structural studies.
DOI: 10.15151/esrf-es-646016459
title: Belgium BAG
DOI: 10.15151/esrf-es-646013579
title: Charge redistribution at the magnetostructural transition in MnCoGe alloys measured by high-resolution powder diffraction

description: The giant magnetocaloric effect that couples a change in magnetic field to a change in temperature has been observed in several materials showing either a magnetoelastic or a magnetostructural transition. In the magnetoelastic transition the symmetry of the lattice is conserved, while it changes in the magnetostructural transition. Density functional theory (DFT) calculations suggest that the underlying mechanisms of the magnetoelastic and magnetostructural transitions both rely on an electronic redistribution. We have successfully confirmed this prediction for the magnetoelastic transition by powder X-ray diffraction. To test the generality of the predicted mechanism, we propose to perform high-resolution powder X-ray diffraction on MnCoGe-based alloys that show a magnetostructural transition. Three-dimensional charge-density plots for various temperatures will be used to evaluate the charge redistribution across the transition.
DOI: 10.15151/esrf-es-675761503
title: scanning diffraction on soft matters

description: scanning diffraction on soft matters, like cellulose and silk fiber
DOI: 10.15151/esrf-es-676020253
title: Scanning spherulites of bottlebrush copolymers (PCL)

description: In the upcoming experiment mainly we will be scanning the spherulites grown in thin films on SiN substrates
DOI: 10.15151/esrf-es-661815595
title: Nanoscale carbonate-oxalate mineralogy from the Great Barrier Reef: understanding pollution and climate change impacts during coral and sedi

description: As part of a broad study centred on the Low Isles reef near Port Douglas, we are studying the mineralogical, geochemical, and microbial populations in sediment and corals in order to better understand how organic minerals form in reef environments, their prominence, and the effects that climate change is having on the mineralogy and microorganisms present on the reef. By characterising the minerals present in the corals and sediment, we hope to for the first time develop an understanding of how susceptible certain corals are to acidification and rising sea temperatures.
DOI: 10.15151/esrf-es-670217530
title: Inhouse research

description: Self-assembly of ultra dilute solutions of anionic and cationic surfactants will be studied by millisecond time-resolved SAXS combined with rapid stopped-flow mixing.
DOI: 10.15151/esrf-es-540324305
title: Dense K-bearing carbonates as essential participants of the Earth's deep carbon cycle

description: The existence of alkali-bearing carbonates in deep mineral inclusions and the presence of K-rich carbonatitic melts in the upper mantle raised the attention to the role of potassium within the Earth's deep carbon cycle. A complex phase diagrams of binary K-Ca carbonates up to 3-6 GPa are experimentally derived only from quenched samples, but properties related to stability aspects, possible polymorphism and associated transitions remain unexplored so far. We propose in situ single crystal XRD experiments in diamond anvil cell to study the structure compression mechanisms, mechanical stability and compressibility of K-Ca-carbonates with different K:Ca stoichiometry, synthesized at HP,T-conditions. The obtained data are necessary to unravel their role within the deep carbon cycle associated to the existence of crystalline products of carbonatitic melts at mantle conditions.
DOI: 10.15151/esrf-es-645553634
title: Multiscale and multimodal characterization of polycrystal plasticity in metallic materials

description: This proposal will develop, and make available to the user community, a new experimental and algorithmic framework to conduct simulation informed multi-modal in situ experiments on metallic materials. This will allow to study the mechanical behaviour of polycrystalline samples at the microstructural scale (deformation, fracture). The establishment of automated acquisition and data processing pipelines will allow for the first time to use the feedback from experimentally driven simulations of the material response to guide subsequent “zoom-in” observations in selected regions of interest. Achieving this ambitious goal requires (i) a new, fully integrated, in situ load stage compatible with both id11 end stations (ii) an efficient data processing pipeline for DCT, topotomography and scanning-3DXRD acquisitions (both interactive & automated) and (iii) experimentally driven mechanical simulation routines to add stress/strain fields to the reconstructed data.
DOI: 10.15151/esrf-es-645348232
title: Correlative imaging for additive manufacturing of metallic alloys

description: Additive manufacturing of metallic alloys is an innovative process but several scientific issues need to be overcome for a strong development in industry. In this field, relevant scales are ranging from several centimenters down to submicron requiring the development of a multi-scale correlative imaging approach. We propose a dual strategy on ID16B and BM18 to extent their application domains: (i) an experimental approach linking in situ tests at several scales with dedicated sample environment and technical developments; (ii) a numerical approach based on artificial intelligence algorithms to reduce data acquisition (low number of projections, automatic segmentation) and increase quality (enhanced resolution, noise and rings removal). The multi-scale correlative imaging strategy will benefit to other imaging beamlines (BM05, ID19), will be transferable to other materials science fields leading to more industry participation at ESRF, thanks to an associated long life learning project.
DOI: 10.15151/esrf-es-645964197
title: Ultrastructure of the human pineal gland: investigation in Alzheimer’s disease condition

description: Recent studies have shown that pineal gland (PG) dysfunction, due to PG volume reduction and PG calcification, is involved in the Alzheimer’s disease (AD) pathogenesis. In this framework, we propose the investigation of the PG soft tissue and calcification from post-mortem human brains in norm and AD pathology on the cell level, using X-ray holographic nano-tomography for a comparative study. This research will allow us to evaluate the degree of involvement of the human pineal gland in the development of AD.
DOI: 10.15151/esrf-es-663042219
title: Revealing the average cation distribution in Sr5xBa5-5xNb10O30

description: Sr5xBa5-5xNb10O30 (SBN) is a ferroelectric material crystallizing in an unfilled tetragonal tungsten bronze (TTB, general formula (A1)2(A2)4C4(B1)2(B2)8O30) structure, with three species (Sr, Ba and a vacancy) distributed over the A1 and A2 sites, resulting in inherent disorder. The cation distribution directly affects the ferroelectric and dielectric properties of SBN, and can even be used to tune the material properties. Thus, it is important to characterize and quantify the cation disorder. However, with this configuration of cations (two sites and three species), the occupancies of all species on both sites are impossible to retrieve from a single X-ray diffraction experiment. We intend to perform high-resolution resonant scattering on SBN with selected compositions (x = 0.25, 0.33, 0.50, 0.61) at different temperatures (T = RT, 300, 800, 950 °C) to overcome the limitation of conventional powder diffraction, and accurately quantify the cation disorder in SBN.
DOI: 10.15151/esrf-es-644969439
title: Operando XAS analysis of visible light assisted CO2 reduction on mono- and bi-metallic (Ni, Cu,Fe)/ CeO2 catalysts

description: This proposal is aimed to analyze the active species in monometallic Ni or Cu, and bimetallic Ni-Cu subnanometer clusters dispersed on CeO2 or CeO2 doped with 8% Fe, during thermocatalytic and light-assisted CO2 reduction reactions. Operando X-ray absorption spectroscopy (XAS) coupled to MS will be used to simultaneously follow the oxidation state and local atomic structure of the (bi)metallic clusters and CeO2 support (with or without Fe dopant), as well as conversion and selectivity during thermally driven and light assisted CO2 reduction reactions. The obtained information will help to identify the dynamic interplay between the metals and the ceria support during the reaction and unravel the way visible light activates the metal@semiconductor photocatalyst.
DOI: 10.15151/esrf-es-644969965
title: Imaging of ultrafast wavefront from compressed Ni Micro-pillars using Tele-ptychography.

description: High brilliant sources, IV generation synchrotrons and XFELs, open new capabilities to study materials with single high coherence shots. We want to extend our understanding of the dependence of the signal with dynamical diffraction in compressed microstructures of High Z materials. In this effort, we want to image a model sample such as 5 um Ni single crystal micro-pillars using nanofocus diffraction tele-ptychography in diffraction direction. This technique was successfully implemented in the forward direction at NanoMAX to study nano-indented Si wavers. The study of the dynamical diffraction echoes in Ni in the diffraction direction can only be performed in a beamline with the beam properties and detector geometry such as ID01. This dynamical diffraction effect shows a femtosecond time dependence that could be used to reconstruct ultrafast 3D maps of lattice oscillations in metals, semiconductors or other functional materials microstructures.
DOI: 10.15151/esrf-es-644970087
title: Orientation induced and surface pressure controlled redox-isomerism of lanthanide bis-phthalocyaninates at air/water interface in situ confi

description: One of the perspective ways of realization of molecular switching is exploitation of redox-isomerism, which is a reversible and controlled intramolecular electron transfer that results in changes of physico-chemical properties and the molecular size. The latter can be utilized in the development of a so-called molecular muscle, where spatial changes lead to overall lengthening/shortening of the assembly of redox-isomeric molecules. Phthalocyanine derivative complexes are considered as one of the most promising compounds for these applications due to their ease of modification and ability to form complexes with a wide series of metals. We propose investigation of Langmuir monolayers of a series of bis-tetra-crown-phthalocyaninates of several lanthanides. Combined studies by in situ UV-vis spectroscopy, GID and XANES will allow us to determine the exact conditions of redox-isomeric transformations and accompanying spatial changes of the studied molecules.
DOI: 10.15151/esrf-es-644971027
title: Probing the E4 State of Mo Nitrogenase using Fe,Mo Kalpha High Energy Resolution Fluorescence Detected X-ray Absorption and Fe Valence-to-Co

description: Fixation of atmospheric nitrogen into bioavailable forms such as ammonia is critical for life on earth. Beyond the need for ammonia in fertilizer production, this hydrogen-rich molecule is an attractive green energy storage intermediate. The majority of ammonia is produced by nitrogenases, which serve as the exclusive biological route to nitrogen fixation. Therefore, understanding how these enzymes are capable of performing this exceptionally difficult reaction is important for the development of competent energy efficient catalysts. We intend to investigate the nature of the catalytic intermediates of nitrogenase immediately prior-to and following N2 binding using a combination of Fe valence-to-core X-ray emission spectroscopy along with Fe and Mo Kalpha HERFD XAS, which will provide significant insight into the nature of the Femoco-N2 interaction and thus biological nitrogen fixation.
DOI: 10.15151/esrf-es-658442867
title: Rixs investigation of the double-chain cuprate YBa2Cu4O8

description: Using RIXS we found a charge density wave in the double-chain cuprate YBa2Cu4O8, which was not previously found. With this experiment we aim to fully characterize this CDW with fine temperature and energy dependencies.
DOI: 10.15151/esrf-es-668873573
title: A RIXS study of the electronic and magnetic excitations in FePS3

description: In 2D antiferromagnetic MPS3 compounds – M is a 3d transition metal – the correlation between spin and orbital excitations often leads to strong coupling between the electronic transitions and magnetic order. This quantum behaviour looks particularly appealing in view of the development of opto-spintronic devices. Our preliminary Resonant Inelastic X-ray Scattering (RIXS) measurements on FePS3 performed at the ID32 beamline at the ESRF show indications of a possible coupling between low energy magnons and electronic excitations in relation to the octahedral and trigonal crystal field components within the FeS6 units in FePS3. In this experiment we will perform the RIXS measurements using horizontal instead of vertical beam polarization.
DOI: 10.15151/esrf-es-670009552
title: Understanding the role of soil properties on the fate of trace elements in organic waste amended soils

description: Recycling of organic waste (OW) as fertilizer in agricultural soil is a widely used practice as it ensures sustainable development. Copper (Cu) and zinc (Zn) are major inorganic contaminants in organic wastes that accumulate at the surface and pose several risks (e.g. phytotoxicity). The environmental fate and risks posed by these metals depend on their chemical speciation. If we demonstrated that metal speciation is altered by OW type (raw OWs, digestates or composts), we still need to establish the role of soil properties (pH, mineralogy, organic matter, etc.) on the fate of Cu and Zn in OWs amended soils. We propose to investigate the impact of Cu and Zn borne OWs on amended soils from two long-term field experiments selected for their contrasted soil characteristics. Due to the trace level of metals, FAME Beamline in required and best suited for our XAS measurements.
DOI: 10.21961/mdm:44819
title: Klinische Dokumentation Med. V - Follow Up - Lymphom

description: Dokumentation des Follow-Up für Patienten mit Lymphom am Universitätsklinikum Heidelberg. Prof. Dr. med. Sascha Dietrich Dr. med. Tim Sauer Medizinischen Klinik V - Klinik für Hämatologie, Onkologie, Rheumatologie - Universitätsklinikum Heidelberg
DOI: 10.22011/strenda_db.gdltul
title: Modelling of L-DOPA enzymatic oxidation catalyzed by L-amino acid oxidases

description: L-amino-acid oxidase (LAAO) (LAO), O93364, null
DOI: 10.22011/strenda_db.wctbe4
title: Modelling of L-DOPA enzymatic oxidation catalyzed by L-amino acid oxidases

description: L-amino acid oxidase (L-AAO) (LAO) (roLAAO), Q8VPD4, null
DOI: 10.5281/zenodo.5919944
title: Spectrograms and frequencies of the first mode of Schumann Resonance according to multi-position monitoring parformed at the Ukrainian Antarctic Station (2002-2020) and at the Arctic SOUSY facility (2013-2020)

description: This dataset contains the processed data used for the publication: ELECTROMAGNETIC SEASONS IN SCHUMANN RESONANCE RECORDS. The dataset contains the daily spectrograms and frequensies of first mode of Schumann Resonance (derived for North-South and East-West magnetic components) of ELF signals recorded at the Ukrainian “Akademik Vernadsky” Antarctic station (65.25° N and 64.25° W) 2002-2020, and at SOUSY Arctic facility (Svalbard 78.15° N and 16.05° E) 2013-2020.
description: Results of concurrent observations of Schumann resonance at the Ukrainian "Akademik Vernadsky" Antarctic station (65.25° N and 64.25° W) and at SOUSY Arctic facility (Svalbard 78.15° N and 16.05° E). Measurements of electromagnetic fields were performed simultaneously by using similar techniques and the standard calibrated digital equipment. This ensured full record compatibility in both hemispheres.
DOI: 10.5281/zenodo.5919943
title: Spectrograms and frequencies of the first mode of Schumann Resonance according to multi-position monitoring parformed at the Ukrainian Antarctic Station (2002-2020) and at the Arctic SOUSY facility (2013-2020)

description: This dataset contains the processed data used for the publication: ELECTROMAGNETIC SEASONS IN SCHUMANN RESONANCE RECORDS. The dataset contains the daily spectrograms and frequensies of first mode of Schumann Resonance (derived for North-South and East-West magnetic components) of ELF signals recorded at the Ukrainian “Akademik Vernadsky” Antarctic station (65.25° N and 64.25° W) 2002-2020, and at SOUSY Arctic facility (Svalbard 78.15° N and 16.05° E) 2013-2020.
description: Results of concurrent observations of Schumann resonance at the Ukrainian "Akademik Vernadsky" Antarctic station (65.25° N and 64.25° W) and at SOUSY Arctic facility (Svalbard 78.15° N and 16.05° E). Measurements of electromagnetic fields were performed simultaneously by using similar techniques and the standard calibrated digital equipment. This ensured full record compatibility in both hemispheres.
DOI: 10.21961/mdm:44820
title: Klinische Dokumentation Med. V - Follow Up CLL/HCL

description: Dokumentation des Follow-Up für Patienten mit CLL/HCL am Universitätsklinikum Heidelberg. Prof. Dr. med. Sascha Dietrich; Dr. med. Tim Sauer; Medizinischen Klinik V - Klinik für Hämatologie, Onkologie, Rheumatologie - Universitätsklinikum Heidelberg
DOI: 10.21961/mdm:44821
title: Klinische Dokumentation Med. V - Follow Up AML

description: Dokumentation des Follow-Up für Patienten mit AML am Universitätsklinikum Heidelberg. Prof. Dr. med. Sascha Dietrich; Dr. med. Tim Sauer; Medizinischen Klinik V - Klinik für Hämatologie, Onkologie, Rheumatologie - Universitätsklinikum Heidelberg
DOI: 10.34820/fk2/gwsewb/ycmx5g
title: Data Matan Hadits Bukhari.tab

description: :unav
DOI: 10.34820/fk2/gwsewb
title: Indonesian Translation of the Hadith of Bukhari (Single-label)

description: This dataset contains the Indonesian translation of the hadith of Bukhari in the text representation. Each text in the dataset has been categorized into Anjuran (suggestion), Larangan (prohibition), or Informasi (information) classes, which are validated by a hadith expert.
DOI: 10.21961/mdm:44822
title: Klinische Dokumentation Med. V - Anamnese B-Symptomatik

description: Dokumentation der Anamnese für Patienten, die in der Ambulanz der medizininischen Klinik 5 am Universitätsklinikum Heidelberg vorstellig werden. Abfrage der B-Symptomatik. Prof. Dr. med. Sascha Dietrich; Dr. med. Tim Sauer; Medizinischen Klinik V - Klinik für Hämatologie, Onkologie, Rheumatologie - Universitätsklinikum Heidelberg
DOI: 10.6084/m9.figshare.19029818.v1
title: Supplementary Material for: Best Practice Recommendations for Dysphagia Management in Stroke Patients: A Consensus from a Portuguese Expert Panel

description: Dysphagia is frequent after stroke, and it increases the risk of respiratory infection, dehydration and malnutrition, resulting in worse outcomes. Different clinical guidelines present recommendations for the assessment and management of dysphagia in stroke patients in a scattered way. These best practice recommendations address seven clinical questions on the assessment and management of dysphagia in stroke patients, gathering the best-updated evidence. A systematic literature review using the PICO strategy was performed. The recommendations draft was then appraised by a multidisciplinary panel of experts (nutritionists, physiatrists, speech-language pathologists and rehabilitation nurses) in a total of 3 Delphi rounds. A minimum of 80% consensus was established, and the final version offers a total of 21 recommendations for use in clinical practice for stroke patients. These clinical recommendations are an overview of the most recent evidence combined with experts’ consensus and translated into clinically relevant statements. In implementing recommendations at the local level, health professionals should identify facilitators and barriers to evidence-based practice within their contexts and determine the best strategies to address local needs. Where the change is needed, initial and continuing training on all recommendations is essential and relevant.