cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.20055227
title: Land-use affecting organic carbon and its active components in soil aggregates in China

description: ABSTRACT Due to large-scale wetland reclamation, the typical wetland had been conversed to different wetland use types (upland field, paddy field, and artificial forest) in the Sanjiang Plain. However, there are scarce data regarding soil aggregates and active organic carbons during land-use transition. Here, soil aggregates and the changes in content and storage of active organic carbon [total organic carbon (TOC), dissolved organic carbon (DOC), microbial biomass carbon (MBC), and readily oxidized carbon (ROC)] were studied under three land-uses reclaiming wetlands as an upland field, paddy field, and artificial forest in Heilongjiang Province, China. The results showed that soil aggregate structure changed significantly under the three land-uses, of which the largest decrease of mean weight diameter (MWD) occurred in the upland field. Under the three land-use types, the content and storage of TOC and each active organic carbon in soil aggregates with different size fractions significantly decreased compared with that in the wetland. In addition, the proportion of the 1–2 mm soil aggregate was significantly lower than that of other particle sizes, which resulted in the lowest storage of TOC and active organic carbon at 1-2 mm and was found in the wetland, and different land-use types; small aggregates (&lt;0.25 mm) with a small proportion were ignored in calculating organic carbon content and storage. The TOC and active organic carbon content in various soil aggregates varied significantly in different land-use types; the paddy field was most similar to the wetland because of seasonal flooding factors. In soil aggregates with various size fractions, the paddy field presented small changes in the TOC, DOC, and MBC content, and the ROC content was significantly lower than that in the upland field and the artificial forest land-use types. The TOC, DOC, and MBC content in the upland field and the artificial forest were significantly reduced compared with that in the paddy field due to the decrease of water content in the soil. In the artificial forest, which had less human disturbance, organic carbon content was less affected than in long-term cultivated upland fields due to its abundant plant root systems and large input of organic matter. The upland field could seriously affect the structure of soil aggregates and organic carbon in the wetlands and had the most negative impact on the wetland ecosystem.
DOI: 10.6084/m9.figshare.18482295.v1
title: Additional file 2 of Development and validation of a novel 3-gene prognostic model for pancreatic adenocarcinoma based on ferroptosis-related genes

description: Additional file 2. KEGG pathway analysis and GO functional enrichment analysis.
DOI: 10.15151/esrf-es-1409493517
title: PROTEINS RELATED TO PATHOGENESIS OF DISEASES, VIRAL PROTEINS, CELL DIVISION, SIGNALLING AND CHROMATIN PROCESSES

description: Our BAG is composed of eight PIs at six different institutions in Italy and Austria. We focus on a large variety of human, bacterial, viral and synthetic protein
targets and address diverse biological contexts by combining structural biology with biochemistry, biophysics, cellular and in vivo investigations.
DOI: 10.15151/esrf-es-1409494682
title: Swiss consortium in macromolecular X-ray crystallography structure determination for academic researchers: EPFL, UNIL, UNIGE and SLS-MX joi

description: This proposal is a joined application by major swiss academic universities; EPFL, UNIL, UNIGE and SLS-MX; and lead by Dr. Florence Pojer, head of the protein Production and Structure core facility at EPFL, an expert in X-ray crystallography with over 20 years experience. The applicants are regular users of the MX beamlines at the Swiss Light Source at PSI. As SLS-PSI will close its door in summer 2023 for 2 years, It is now essential for our community to collect data at ESRF. Moreover, the access to the automated MASSIF-1 beamline, managed by Didier Nurizzo and colleagues, will be an amazing value to our current pipeline. A non exhaustive list of projects by the applicants is presented below. The consortium will need around 14 shifts per 6 months, similar to what they currently are allocated at PSI-SLS. Important note; no application was sent to other synchrotron sources.
DOI: 10.24403/jp.1320335
title: Bryologische Exkursion ins Ostthüringer Buntsandsteingebiet am 9. Oktober 1983 / R. Marstaller
DOI: 10.15151/esrf-es-1436194829
title: Gaining clues on the role of bone fusions in the simplification of the early tetrapod skull

description: The tetrapod skull has repeatedly lost bones throughout its evolutionary history. This is a well-documented, yet poorly studied convergent trend that has occurred independently in several different tetrapod lineages. This project aims to use histological data to find evidence for bone loss via fusion. We will search for evidence of fusions in the temporal and median series of the dermatocranium in several different early tetrapods. This will include stem amniotes, as well as the two groups that have been alternatively proposed as stem-lissamphibians; the temnospondyls and lepospondyls. The specimens also possess varying degrees of completeness of the temporal series, which is the most variable region of the dermatocranium. By including these specimens and sampling both the temporal and neighbouring median series, we will be able to see if there is evidence that suggests temporal series bones were lost by fusing with neighbouring temporal or median bones.
DOI: 10.15151/esrf-es-1436197389
title: Investigation of Current Voltage Characteristics of Irradiated Vanadium Dioxide (VO2)

description: The goal of this experiment is to obtain information regarding the stochastic behavior of VO2’s insulating and metallic domain formation as a stimulus, current, is applied. By analyzing the 1D spatial maps collected in this experiment, we will be able to understand the metallic domain relaxation process as a function of current. This local nanoscale structure information will then be compared to the global resistive state of devices. We expect to see nanoscale filaments, formed by metallic puddles, connect the two metal leads as a result of the voltage pulses. Our collaborators intend to utilize these characteristics to fabricate neuromorphic and synapse-like devices for computational purposes.
DOI: 10.15151/esrf-es-1436200064
title: Unraveling a general approach to subvalent silver oxides

description: The aim of the project is to unravel a general approach to subvalent silver oxides.
As a result of this experiment, we will not only generate a variety of novel high-pressure ternary and binary oxides but also will be able to rationalize the general synthetic procedures of subvalent oxides. This discovery appears to be of far-reaching relevance, as it is indicating an option for a purposeful and generally applicable access to multinary subvalent silver oxides.
DOI: 10.15151/esrf-es-1447451801
title: Determine mortality patterns of the Iron Age Iberian Children

description: Human primary teeth start to form between the sixth and eighth week of prenatal development. An accentuated marking line, the neonatal line (NNL), forms at birth caused by the physiological changes. The NNL identification is the only method in paleoanthropological studies that allows us to distinguish if a child died before or after birth and to calculate an infant's exact period of survival, but it is difficult to determine. Dean et al (2019) recently discover thet NNL coud be detected by SRXRF, by the increment of Zn (20-100 ppm). We want to determine the chronological age of perinatal skeletal remains and establish mortality patterns in 22 individuals of Iberian archaeological site of Olerdola (Spain) and analyze them using SRXRF. This study will help provide insights into the practices of infanticide in Iberian culture and contribute to the field of physical and forensic anthropology.
DOI: 10.15151/esrf-es-1489722796
title: Ti3C2 MXene for hydrogen storage

description: We want to test a film of Ti3C2 as electrocatalyzer at potentials close to the hydrogen evolution reaction. The goal of the experiment is to track changes in the structure of the material in operando by GIWAXS and PDF. The cell containing the Ti3C2 sample will be cycled in acidic (3 M H2SO4) and alkaline (1 M KOH) electrolytes while being analyzed in the beamline.
DOI: 10.15151/esrf-es-1431718222
title: Multi-scale Multi-techniques investigations of Li-ion batteries: towards a European Battery Hub

description: In this science-driven Long-Term proposal, we propose a 3-years multi-beamline program tackling grand challenges for actual, emerging and future battery technologies. We will deploy advanced methodologies for accelerating research by setting new cooperation modes for multi-techniques multi-scale studies. Three chemistry-neutral scientific cases have been identified to fulfil this LTP: bulk-to-surface mechanisms, high energy system and smart sensing. Multiple, time-coordinated, interoperable spectroscopic, imaging & scattering techniques will be implemented. This proposal is the Pilot Phase towards a European Battery Hub aiming at accelerating workflows in battery research by optimizing the exceptional diversity of means available at ESRF. We expect to demonstrate the added value of a new “proposal” mechanism, e.g. science-driven beamtime allocation group, serving the fast growing, highly competitive and rapidly evolving European battery community.
DOI: 10.15151/esrf-es-1435806952
title: Tunable pore network of MnCo-Prussian Blue Analogue (PBA) for separation of Xe and Kr

description: In this work, we will explore nano-porous single crystals of Mn[Co(CN)6]2/3 Prussian Blue Analogue (Mn[Co] PBA) with three distinct pore networks as molecular sieves for separation of xenon (Xe) and krypton (Kr). The pores in PBAs are defined by the vacancies of Co(CN)6 units and have the size of one to two kinetic diameters of Kr and Xe, almost optimal for separation purpose. Our aim is twofold. First we will study the efficiency of Xe and Kr separation as a function of local structure of the Mn[Co] PBA. Second, we will use a novel method to study the absorption site of Kr and Xe and the induced relaxation of the host lattice by observing the change in single crystal diffuse scattering of the material.
DOI: 10.15151/esrf-es-1435807367
title: Breaking the size barrier to a full understanding of a unique Devonian tetrapod fauna.

description: Experiment ES-1297, which was carried out on Beamline BM18 in February 2023, aimed to image a collection of previously unstudied tetrapod fossils from the Devonian of Greenland by propagation phase contrast synchrotron microtomography. It was highly successful for small to medium-sized specimens, with superb data capture including evidence of soft-tissue preservation, but the largest blocks (20-30 cm diameter) yielded poor image quality because the currently installed detector is not optimal for such pieces. This is unfortunate, because the largest blocks contain semi-articulated skeletons, critical for interpreting the individual bones in smaller blocks. A new detector with a larger field of view and and much better properties will soon be installed; at the invitation of the Local Contacts I am submitting this follow-up application for beamtime to scan the large blocks with the new detector, thus completing this landmark project.
DOI: 10.15151/esrf-es-1435807715
title: Insights into the chemical speciation of chromium corrosion products in molten salt fuel mixtures using XANES

description: Fluoride and chloride molten salts are currently the reference fuel for Molten Salt Reactor technologies. But the use of these highly corrosive mixtures exposes the structural materials to high risks of degradation and failure over the lifetime of the reactor. Ni-based alloys have shown the best resistance to molten salts at high temperatures. However, chromium present in these alloys at a relatively high content, is the most likely to dissolve in the fuel salt, leading to chromium depletion in the structural material, and concomitant formation of corrosion products within the salt. The objective of this work is to experimentally determine the chemical speciation of chromium, i.e., as divalent or trivalent species, in key fuel salt mixtures, using static corrosion experiments followed by post-characterization using XANES spectroscopy at the ROBL Beamline. Such study is essential to gain insights into the corrosion mechanisms and for the development of corrosion mitigation strategies.
DOI: 10.15151/esrf-es-1435808778
title: Footprints of plastic deformation along strain gradients in twisted Au microwires

description: This proposal involves 3D Laue microdiffraction experiments within single crystalline cross-sections of twisted Au micro wires with a bamboo microstructure using the DAXM setup at BM32. The DAXM measurements can be used to determine both, the global and local deformation (strain and misorientation fields) in 3D as well as the corresponding density of GNDs as function of the radial position within the single crystalline cross-section of the wire. By comparing wires with different diameters for different degrees of deformation (shear strain at the surface is equal for every wire diameter), it will be possible to quantify the evolution of plastic deformation from the center to the surface in dependence of the wire diameter, and accordingly to quantify the impact of pure strain gradients on the observed size effects for strength and hardening behaviour for the first time.
DOI: 10.15151/esrf-es-1435809238
title: Texture tomography – Establishing spatial and angular resolution limits with a multi-texture 3D resolution chart

description: The crystallographic texture is a key organization feature of many technical (steel, concrete, ceramics or energy materials) and biological materials (bone, teeth, wood, tendon). To determine the crystallographic texture of such materials in 3D we are developing Texture tomography (TexTom) based on the previously established technique of X-ray small-angle scattering tensor tomography (SASTT) and its transfer to diffraction. TexTom differs from SASTT as it uses a projection model, which uses all available reflections in the diffraction pattern and not just a single q-range, as SASTT does. We propose to deploy this technique at ID15A and study the attainable real and reciprocal space resolution on a custom-designed texture test pattern. In this way, we will obtain ground truth data before the technique finds wider application on biomaterials such as the bone-tendon enthesis or technical materials such as fibre reinforced polymers.
DOI: 10.15151/esrf-es-1435809276
title: Towards microsecond XPCS at the ESRF

description: The objective of this proposal is to provide instrumentation which facilitates measuring microsecond dynamics of radiation-sensitive samples such as protein systems via multi-speckle X-ray photon correlation spectroscopy (XPCS) at the ESRF-EBS. We propose to purchase and integrate an XSPA RIGKAU detector for the new coherence flagship beamline ID 18 at ESRF-EBS making ideal use of the increased coherence properties of the EBS. The XSPA detector provides a sustained frame rate of 56 kHz. Running the detector in a special burst mode with lower duty cycle it is possible to trace dynamics as fast a microsecond – a time scale typical for diffusion of proteins on the nanoscale in dense cellular environments. We plan to test the new instrumental XPCS capabilities first at ID10 and ID02 including commissioning and implementation for user experiments. With the completion of ID18 we will transfer it to the new beamline. The detector will be bought from an already secured BMBF grant.
DOI: 10.15151/esrf-es-1435809728
title: 'Fisheye' formation in hydrogen charged low alloy cast steel containing porosity

description: The aim of the proposal is to investigate in situ the effect of hydrogen on the plasticity of industrially relevant metals. We will focus on studying the microstructure related effects of H-charging (i.e. local plasticity modification by cavities due to external deformation in steels). Porosity – left in the material during production – act as hydrogen traps, that alter locally the brittleness of the material. Crack initiation and propagation, grain orientation evolution, and brittle-to-ductile (BDT) transition coupled with the H-modified mechanical behaviour will be monitored during the proposed experiment.
DOI: 10.15151/esrf-es-1435810122
title: Disordered iron oxides as adsorbant for heavy metals: structural characterisation and reaction kinetics

description: Iron oxides can be used for the removal of heavy metals from contaminated water-based solutions of various origin. They seem to be efficient (particularly when the grain size is in the nano-region), with a good retention behaviour. They can be produced from metallic scrap materials, and be re-used in the steel industry as smelting aids, keeping in mind a circular economy view.
The relationship between structure and properties, however, is still largely unknown. The aim of these series of proposals (this is the second one) is to understand which is the structural role of heavy metals in the iron oxides, and, from a reaction kinetics point of view, to evaluate fully the kinetics of the process of formation of the iron oxides and of the adsorption of the heavy metals.
DOI: 10.15151/esrf-es-1435810793
title: Pressure-induced structural and electronic changes of iron in peridotitic glasses

description: Data on the electronic state and local environment of Fe as a function of pressure (P) are scarce because of experimental challenges of synthesising relevant compositions for the early Earth. This proposal aims to measure Fe in peridotitic glasses, synthesised under different oxygen fugacity (fO2), using X-ray Absorption spectroscopy up to 150 GPa in a diamond anvil cell. Using high resolution energy scans at the Fe K-edge, we will measure its pre-edge feature (i.e. redox, spin state), as well as the extended region above the edge (i.e. mean bond length). Combined with our recent high pressure Mössbauer spectroscopy, we will identify the different spin states of Fe in peridotitic glasses and establish a calibration for the absolute proportions of Fe2+ and Fe3+ therein, using the XANES method. Hence, we aim to determine the relative stabilities of Fe2+ and Fe3+ as a function of P, and whether the fO2 at the surface of a planet depends upon its mass, affecting the Earth’ evolution.
DOI: 10.15151/esrf-es-1435811659
title: XES studies on simultaneous cationic and anionic redox (SCAR) active VS4 cathodes for Mg batteries

description: This project aims to study the redox chemistry in simultaneous cationic and anionic redox (SCAR) Sulphur-based VS4 cathodes in Mg batteries. Those cathode materials work extraordinarily well with monovalent ions and also show promising results in the multivalent case as demonstrated in our previous studies using a new a solid-state synthesis. Yet, their redox mechanisms are not fully understood, especially in extended cycles with capacity dropping. We apply to use synchrotron tender XES to investigate the redox behaviors of both transition metal cations and the S anions in response to Mg insertion and extraction, and compare their contributions to the change of capacity. The findings will help understand fundamental mechanisms beyond intercalation within the SCAR-based cathode materials, and aid the discovery of novel compositions with enhanced properties, enabling faster diffusion and extending the portfolio of Mg cathode materials.
DOI: 10.15151/esrf-es-1441230666
title: How does the lacunar-canalicular network reform in grafted bone?

description: Bone grafting is a common healthcare procedure, carried out using natural bone (autograft) or animal derived (xenograft) or synthetic materials. Autografts are preferred but are often not possible meaning that synthetic and xenograft options must be considered. Development targets for synthetic and xenograft materials focus on increasing the speed the graft becomes incorporated with less attention to its long-term stability. Bone’s stability and ability to repair itself is influenced by many variables, but a fluid filled network connecting osteocyte cells called the lacunar-canalicular network (LCN) has been shown to be critical. Here we aim to use the sub-micron tomographic imaging at ID16A to characterize the LCN network in bone regenerated by autologous vs xenografts vs synthetic approaches, correlating with histology and electron microscopy studies to test the hypothesis - LCN architecture varies between grafted bone depending on graft type and this impacts response to insult.
DOI: 10.15151/esrf-es-1434740091
title: Interplay between sub-mesoscale oxygen ordering and low-T oxygen mobility explored in situ in Pr2NiO4+d

description: The proposal aims to explore in situ the changes in the lattice dynamics during the electrochemical reduction of Pr2NiO4.25 showing sub-mesoscale oxygen ordering to Pr2NiO4.0. The study will enable to monitor the energy dependence of the soft mode behavior in Pr2NiO4+d with the charge transfer, i.e. the oxygen content, over the whole stoichiometry range. It will allow to conclude on the interplay between sub-mesoscale oxygen ordering and low-T oxygen mobility via a modified lattice dynamics in terms of a phonon assisted diffusion model.
DOI: 10.6084/m9.figshare.18482292.v1
title: Additional file 1 of Development and validation of a novel 3-gene prognostic model for pancreatic adenocarcinoma based on ferroptosis-related genes

description: Additional file 1. Different expressed genes (DEGs) between three clusters.
DOI: 10.6084/m9.figshare.18482295
title: Additional file 2 of Development and validation of a novel 3-gene prognostic model for pancreatic adenocarcinoma based on ferroptosis-related genes

description: Additional file 2. KEGG pathway analysis and GO functional enrichment analysis.