cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15151/esrf-es-1113445579
title: A mixing flow-cell for difference SAXS studies of protein conformational changes.

description: We aim to observe structural perturbations using small angle x-ray scattering (SAXS) for two different ion channels (KcsA and LGC-39) and in cytochrome P450. We will take advantage of 3D printing technologies to overcome previous limitations in difference X-ray scattering studies when mixing samples. A recent proof-of-principle test at ID02 of the ESRF successfully observed structural changes in KcsA by using UV light to release caged protons, thereby jumping the sample from pH 7 (neutral) to 4 (acidic). We will extend this study using a mixing cell to induce a similar pH jump. Should both approaches yield similar structural changes, the same approach will probe ligand-binding-induced conformational changes in a ligand gated ion channel (LGC-39) isolated from the model-organism C. elegans, and ligand-binding-induced conformational changes in cytochrome P450, a drug metabolizing enzyme. This work increases our understanding of neuronal transmission selectivity and enzyme activity.
DOI: 10.15151/esrf-es-1113445985
title: Lacunar-canalicular network in bone metastasis of prostate cancer as predisposing factor for weakness and fractures

description: One in 9 men will suffer from prostate cancer (PC) during his lifetime and 20% of them will face advanced metastatic disease. Bone metastases (BM) occur in ~80% of advanced PC patients causing severe pain and fractures that can generate spinal cord compression and immobility. Although PCBMs generate osteoblastic lesions with increased bone density, they still make bone weaker and easier to fracture. Our preliminary observations showed more and larger lacunae and altered canaliculi in PCBM, and lack of collagen organization. Here, we propose to use the X-ray phase-contrast nano-CT setup at the beam-line to analyze PCBM lacunar-canalicular network as a factor in understanding PCBM fragility. This beam-line, with the best available resolution and experience in 3D bone imaging, would help understanding lacunar-canalicular structure in PCBM, which can be related to stress accumulation and fractures, and provide insights on the intercellular communications in PCBM.
DOI: 10.15151/esrf-es-1113446148
title: Sticky roots - how viral infection changes the ability of plant roots to destabilise mineral-organic associations in soils

description: Mineral-organic associations (MOAs) store &gt; 90% of soil carbon (C), protecting C from microbial decomposition for millennia. However, although plant exudates can disrupt MOAs and expose C protected therein to microbial decomposition, the extent of this disruption is unknown. Our goal is to assess how root exudation disrupts MOAs within the rhizosphere. We are propose to use ID21 to characterize the transformations of MOA within distinct rhizosphere microenvironments: the root tip, as well as elongation and differentiation zones. We plan to use XRF imaging in conjunction with Fe XANES/EXAFS to assess the disruption of synthetic MOAs by quantifying changes in Fe phase contribution and abundance within distinct rhizosphere microenvironments. To manipulate the composition of root exudates, we will be using a unique biological tool – controlled infection with plant virus. We will the extent of MOA disruption within microsites along infected and uninfected plant roots.
DOI: 10.15151/esrf-es-1132084846
title: Single crystal x-ray diffraction on SrMO3 at high pressures and low temperatures

description: The perovskite ransition metal oxide SrMoO3 stands out because of its high electric conductivity due to a remarkable interplay between electronic states. Within this project we plan a detailed single crystal x-ray diffraction study including diffuse scattering to reveal structural properties at low temperatures and high-pressures.
DOI: 10.15151/esrf-es-1048849267
title: in situ photon-in-photon-out spectroscopic studies with high temporal, spatial and energy resolution during emergence of transition metal su

description: Today’s emerging questions in colloidal science go far beyond the precise control of size. The synthetic and theoretical efforts focus on a wide range of nanomaterials with unique electronic properties as they carry on a potential to have impact on highly relevant societal themes ranging from electronic devices, energy conversion to energy storage. The particularly important recent examples include the transition metalchalcogenides (TMS), and nitrides (TMN). In this context studying the electronic structure of the central metal atom and differentiating between various metal ligands during synthesis has become of paramount importance for the chemistry of materials. The new high-energy resolution emission spectrometers (microXES and tender) at ESRF enable in situ XES experiments with high energy, time and spatial resolution. However, what is missing is a dedicated sample environment for on-line monitoring of the syntheses of nanostructure in solution at the relevant conditions.
DOI: 10.15151/esrf-es-1112063176
title: EXAFS study of ferroelectric topological crystalline insulators

description: The topological crystalline insulators (TCI) are materials with a topologically nontrivial band structure protected by a crystalline symmetry. One of the TCI materials is Pb1-xSnxTe which undergo transition from normal to inverted band gap structure with composition changing. The optical and magnetooptical measurements show ferroelectric transition at temperature of about 30-100K for Sn concentration of 30-60%. On the other hand, the temperatue dependent x-ray diffraction does not show structural change. Our goal is to study (Pb,Sn)Te thin films by EXAFS to check local atomic displacements below transition temperature. The results will explain the nature of the observed phase transition. The results will be comparted with (Pb,Ge)Te alloy layers, which are known to be ferroelectric.
DOI: 10.15151/esrf-es-1112064986
title: Unravelling a photoinduced compressive lattice response in the canonical Mott insulator (V1-xCrx)2O3

description: This proposal aims at determining the nature of lattice strain, compressive vs tensile, following the ultrafast photoexcitation of hot carriers in Mott insulator (V1-xCrx)2O3. Our μ-XRD mapping on (V0.95Cr0.05)2O3 thin films after an electric field-driven insulator to metal transition indeed revealed a compressive lattice response. As electric field and light pulses are both prone to generate hot carriers, we might expect that photoexcitation would also induce a compressive lattice response in (V1-xCrx)2O3. However our recent time-resolved XRD study of (V0.95Cr0.05)2O3 films at ID09 revealed a tensile rather than compressive effect. To clarify the situation, we propose to work in parts of the temperature-x phase diagram more prone to reveal this sought photoinduced compressive effect. Overall this study might challenge the paradigm by which photoexcitation of matter always leads to a thermally-driven expansion, and suggest that Mott physics can lead to a reverse compressive behavior.
DOI: 10.15151/esrf-es-1112065024
title: Influence of perfluorocarbons on protein adsorption and adsorbates

description: We propose a combined grazing incidence X-ray diffraction and X-ray reflectivity study on the effect of aerolized and gaseous perfluorocarbons (a- and gFCs) to protein adsorption at Langmuir films using different proteins, surface pressures and gas pressures at beamline ID10 of the ESRF. Aim of the proposed experiment is the determination of the lateral and vertical structure of model membranes of lung surfactant lipids like anionic DPPA and zwitterionic DPPC before and after protein adsorption and the influence of an overlying FC atmosphere to the protein adsorption behaviour. The substances have been selected based on their biomedical research interest. Especially a- and aFCs with a high vapour pressure are in focus of research as they represent a new approach to replace liquid FC ventilation and the unsafe use of the animal LS replacements to treat LS injuries or deficiency in adults and neonatal children. The combination of XRR and GID gives a comprehensive picture of the system.
DOI: 10.15151/esrf-es-1112066926
title: In-situ diffraction study of the positive impact of nitrogen on the high temperature oxidation of Ti alloys

description: Titanium alloys use at high temperature is limited by the oxide scale growth and by the O dissolution in the alloy. Nitrogen contained in the atmosphere may play an important role on the oxidation resistance, as it reduces the kinetics by accumulating at metal/oxide interface. The mechanisms leading to positive impact of nitrogen are still not yet understood, as N-rich phases that may form crystallize with the same crystallographic structure and have very close lattice parameters to O-rich phases. High (hkl) diffraction peaks are needed in order to differentiate between these phases, but they are not accesible with laboratory X-ray wavelenghts.The aim of the in-situ synchrotron experiment is to investigate N-rich phases forming in ambient air at high temperature. Their growth will be followed during the first exposure stages and the time when they form will be identified with respect to O-phases. The impact of alloying elements will be studied by using different composition Ti alloys.
DOI: 10.15151/esrf-es-1112069360
title: Operando HERFD-XAS of La(Mn,Ni)O3 in the CO oxidation: thin films and nanoparticles

description: Perovskite transition metal oxides (ABO3) are cost-efficient catalysts for CO oxidation reactions. Yet, the effect of thin films and nanoparticles variation on the catalytic mechanism is not understood well. We will investigate the differences between nanoparticles and thin films. In addition, we will study the B-site doping effect in LaMnxNi1-xO3. Using high-energy resolution fluorescence detection (HERFD), we will study HERFD-XAS of La(Mn,Ni)O3 thin films (thickness: 0.4-10 nm) and nanoparticles (size: 30-50 nm) under operando conditions. The HERFD-XAS pre-edges contain 1s3d quadrupole local and 1s4p pre-edge nonlocal transitions, in which the extracted information of spin state and covalency plays a vital role in describing the activity. Moreover, we will measure the 1s2p RIXS that probes the “L2,3 XAS-like” information. We will use DFT and charge transfer multiplet calculations[3-5] in order to simulate the HERFD-XAS and the 1s2p RIXS, respectively.
DOI: 10.15151/esrf-es-1112072289
title: Investigating the role of the organic ligand on the magnetic and electronic structure of copper(II) chloride-based organic/inorganic single

description: The aim of this proposal is to have a complete description of the magnetic and electronic properties of 1,2,5-benzothiadole/CuCl2 ((btd)/CuCl2) and 1,2,5-benzoselenadizole/CuCl2 ((bSed)/CuCl2) single crystals organic/inorganic hybrid coordination polymers, using soft x-ray absorption spectroscopy. These are molecule-based magnetic compounds exhibiting the coexistence of different magnetic orders. The goal is to establish the relationship between antiferromagnetic (AFM) and ferromagnetic (FM) orders in these compounds probably related to the presence of helimagnet spin order as observed in full-inorganic anhydrous cupric halides parent compounds when the organic part is changed. To verify this picture, we propose to measure magnetic circular and linear dichroism at the Cu L2,3 edges on hybrid single crystals.
DOI: 10.15151/esrf-es-1112738906
title: In situ Bragg Coherent Diffraction Imaging of Pt nanocrystals of various morphologies in electrocatalytic conditions

description: Platinum group metal (PGM) nanocrystals (NCs) are frequently used as catalysts in a large number of relevant (electro)-chemical processes. In this proposal, we intend to follow the formation and propagation of structural defects as well as strain changes in multiple single Pt NCs of various morphologies under realistic electrochemical reactions (e.g. oxygen reduction reaction – ORR, hydrogen evolution reaction – HER), these two parameters (defects and strain) being descriptors of the ORR and HER kinetics. We aim to map the strain response of multiple single NCs as a function of the electrode potential. The Pt NCs will be immersed in H2SO4 (sulfuric acid) and the electrode potential will be applied to trigger different reactions (e.g ORR, HER). This experiment will complement previous studies carried out at ID01 beamline.
DOI: 10.15151/esrf-es-1121409766
title: Deciphering coral biomineralization by in-vivo Bragg diffraction and 3D Bragg ptychography on the forming skeleton of Stylophora pistillata

description: The aim of this proposal is to follow up on the biomineralization process in the coral Stylophora pistillata (Sp) in vivo, to provide decisive crystalline information regarding the dynamics of the amorphous/crystalline transformation and the mechanism by which the alignment of formed crystallites into a large, high-quality single crystal is achieved. These open questions can only be answered with in vivo studies, which we recently successfully established at ID13 (see Exp. Rep. EV-395), collecting fascinating preliminary data on biomineralization. By performing spatially resolved fluorescence (XRF), Bragg diffraction and 3D Bragg ptychography (3DBP) in vivo, we shall access to Ca distribution, strain, tilts and crystalline coherence maps of a crystallizing Sp skeletons, providing a unique comprehensive picture of the transformation of the initial amorphous phase into a large final single crystal.
DOI: 10.15151/esrf-es-1191004214
title: Experimental Volcanic Eruption

description: Synthetic magmas are put in an induction furnace and rise in a ceramic tube at slow velocity.
DOI: 10.5517/ccdc.csd.cc2bq2v0
title: CCDC 2166182: Experimental Crystal Structure Determination

description: Related Article: Ghanshyam Mali, Indresh Verma, Himanshu Arora, Amit Rajput, Akhilesh Kumar, Rohan D. Erande|2023|J.Org.Chem.|88|5696|doi:10.1021/acs.joc.3c00159
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2dd050
title: CCDC 2216071: Experimental Crystal Structure Determination

description: Related Article: Yu Sun, Jiayu Pan, Xiuqi Wang, Xiaoli Bu, Mengtao Ma, Fei Xue|2023|J.Org.Chem.|88|6140|doi:10.1021/acs.joc.2c02957
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2dd094
title: CCDC 2216075: Experimental Crystal Structure Determination

description: Related Article: Yu Sun, Jiayu Pan, Xiuqi Wang, Xiaoli Bu, Mengtao Ma, Fei Xue|2023|J.Org.Chem.|88|6140|doi:10.1021/acs.joc.2c02957
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5281/zenodo.7911906
title: StreamFlow run of digital pathology tissue/tumor prediction workflow

description: This dataset is an RO-Crate representation of an execution of the tissue/tumor prediction workflow for digital pathology from crs4/deephealth-pipelines. It follows the Provenance Run Crate profile. The workflow has been run with StreamFlow, using the following commands to produce an RO-Crate bundle: <pre><code class="language-bash"># Run the pipeline streamflow run \ --name ml-predict-pipeline-streamflow \ streamflow.yml # Generate the RO-Crate bundle streamflow prov \ --add-file src=README.md,dst=/README.md,about="{\"@id\":\"./\"}",encodingFormat=text/markdown \ --add-property \./.license=https://spdx.org/licenses/MIT \ --add-property \./.name="DeepHealth Pipeline" \ --add-property \./.description="Run of digital pathology tissue/tumor prediction workflow" \ --file streamflow.yml \ ml-predict-pipeline-streamflow</code></pre> The input dataset is Mirax2-Fluorescence-2 by Yves Sucaet, from the MIRAX test data.
DOI: 10.5281/zenodo.7911905
title: StreamFlow run of digital pathology tissue/tumor prediction workflow

description: This dataset is an RO-Crate representation of an execution of the tissue/tumor prediction workflow for digital pathology from crs4/deephealth-pipelines. It follows the Provenance Run Crate profile. The workflow has been run with StreamFlow, using the following commands to produce an RO-Crate bundle: <pre><code class="language-bash"># Run the pipeline streamflow run \ --name ml-predict-pipeline-streamflow \ streamflow.yml # Generate the RO-Crate bundle streamflow prov \ --add-file src=README.md,dst=/README.md,about="{\"@id\":\"./\"}",encodingFormat=text/markdown \ --add-property \./.license=https://spdx.org/licenses/MIT \ --add-property \./.name="DeepHealth Pipeline" \ --add-property \./.description="Run of digital pathology tissue/tumor prediction workflow" \ --file streamflow.yml \ ml-predict-pipeline-streamflow</code></pre> The input dataset is Mirax2-Fluorescence-2 by Yves Sucaet, from the MIRAX test data.
DOI: 10.5281/zenodo.7909391
title: Data for "Gullies on Mars could have formed by melting of water ice during periods of high obliquity."

description: Code, movies and climate model outputs for "Gullies on Mars could have formed by melting of water ice during periods of high obliquity" by Dickson et al. Science, 2023.
DOI: 10.5281/zenodo.7909390
title: Data for "Gullies on Mars could have formed by melting of water ice during periods of high obliquity."

description: Code, movies and climate model outputs for "Gullies on Mars could have formed by melting of water ice during periods of high obliquity" by Dickson et al. Science, 2023.
DOI: 10.5281/zenodo.7882378
title: Staphylococcus Ionic Current Datasets

description: Ionic Current Datasets of <em>Staphylococcus aureus</em> and <em>Staphylococcus epidermidis</em>
DOI: 10.5281/zenodo.7882377
title: Staphylococcus Ionic Current Datasets

description: Ionic Current Datasets of <em>Staphylococcus aureus</em> and <em>Staphylococcus epidermidis</em>
DOI: 10.22008/fk2/07oykx/99laop
title: Maarmorilik_71v2s_1,5k_160522_V4a_WEB.pdf

description: :unav
DOI: 10.22008/fk2/07oykx/ce6rod
title: GeologicalMapofGreenland_G100_Maarmorilik_71v2s.pdf
DOI: 10.22008/fk2/ibhizl
title: Geological map of Greenland 1:100 000, Pannertooq 72 V. 2 Syd

description: Geologisk kort over Grønland / Geological map of Greenland, 1:100.000, central West Greenland
DOI: 10.34740/kaggle/dsv/5640406
title: Elon Musk Tweets
DOI: 10.22008/fk2/pgsmjh/k2brsh
title: Nuugaatsiaq_71v2n_1,5k_180522_V4a_WEB.pdf

description: :unav
DOI: 10.22008/fk2/pgsmjh/usgzt4
title: GeologicalMapofGreenland_G100_Nuugatsiaq_71v2n.pdf
DOI: 10.6084/m9.figshare.21293385
title: Dataset of article: "A 24-h activity profile and adiposity among children and adolescents: Does the difference between school and weekend days matter?"

description: The original study is published in PLOS ONE.
DOI: 10.15151/esrf-es-1112064362
title: Understanding hydrothermal conversion mechanism of mixed uranium-cerium oxalate into oxide thanks to in situ XANES analysis

description: New generations of nuclear reactors require the development of innovative methods to elaborate nuclear fuels. Within this framework, studies have been devoted to the hydrothermal conversion of An(IV) oxalates (An = Th, U, Np, Pu) which allows the direct and quantitative precipitation of hydrated oxides from solution. In this frame, our group is currently studying the hydrothermal conversion of uranium(IV)-cerium(III) mixed oxalates into oxides, cerium being used as a surrogate for plutonium. These two elements can exist in several oxidation state in solution, thereby inducing a complex redox behaviour during hydrothermal treatment. In situ HERFD-XANES experiments will be used to directly monitor the redox state and the speciation of both elements during hydrothermal conversion of oxalates under various conditions of temperature and pH. Understanding of these conversion mechanisms will then allow to deduce optimum experimental conditions for the synthesis of uranium-cerium oxides.
DOI: 10.6084/m9.figshare.22649894
title: Sealing strategies in corn silage and sheep performance in feedlots

description: Abstract The objective of this study was to evaluate the effects of different sealing strategies on aerobic stability and feed value of corn silage supplied to finishing lambs. The treatments were set up according to the silo sealing strategy: BP (black polyethylene film), BP + Bagasse (black polyethylene film + sugarcane bagasse) and BP + Silostop (Silostop® Orange oxygen barrier film + black polyethylene film). Six lambs per treatment were used, totaling 18 animals in an experimental period of 63 days. The silage from LP treatment presented the highest aerobic stability, however with lower dry matter digestibility coefficients. No significant differences were detected among treatments for intake and performance of lambs. But for final body weight, weight gain, daily average gain, feed efficiency and dry matter intake, the best results, in absolute value, were found for lambs fed with silage from LP + Bagasse treatment. The silage sealed exclusively with black polyethylene film showed greater aerobic stability. The different sealing strategies used in this experiment did not influence the performance of finishing Dorper x Santa Inês lambs.
DOI: 10.6084/m9.figshare.22649894.v1
title: Sealing strategies in corn silage and sheep performance in feedlots

description: Abstract The objective of this study was to evaluate the effects of different sealing strategies on aerobic stability and feed value of corn silage supplied to finishing lambs. The treatments were set up according to the silo sealing strategy: BP (black polyethylene film), BP + Bagasse (black polyethylene film + sugarcane bagasse) and BP + Silostop (Silostop® Orange oxygen barrier film + black polyethylene film). Six lambs per treatment were used, totaling 18 animals in an experimental period of 63 days. The silage from LP treatment presented the highest aerobic stability, however with lower dry matter digestibility coefficients. No significant differences were detected among treatments for intake and performance of lambs. But for final body weight, weight gain, daily average gain, feed efficiency and dry matter intake, the best results, in absolute value, were found for lambs fed with silage from LP + Bagasse treatment. The silage sealed exclusively with black polyethylene film showed greater aerobic stability. The different sealing strategies used in this experiment did not influence the performance of finishing Dorper x Santa Inês lambs.