cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.5922615
title: Disruption of fish gut microbiota composition and holobiont's metabolome during a simulated Microcystis aeruginosa (Cyanobacteria) bloom

description: This archive contains the R code, QIIME2 script and datasets used to perform the analyses and figures in the manuscript.
DOI: 10.5281/zenodo.7036727
title: Protein-lipid association in lizard chemical signals

description: Most animal chemical signals comprise a complex mixture of compounds, each with its own chemical properties, which are combined to maximize signal efficacy in a given environment. Such blends forms integrated functional units hypothesized to be shaped by selective forces acting on the functional mixture as a whole, rather than on a single component. Chemical communication plays a pivotal role in lizards, and many species have developed specialized epidermal glands whose secretions are waxy, homogeneous blends of lipids and proteins used for intra- and inter-specific signalling. Lipids are historically considered the main semiochemical source, while proteins provide mere structural support to the lipophilic fraction. Recent discoveries, however, point towards a key signalling role for proteins, as well. The potential signalling functions of both proteins and lipids let use to hypothesise that they should undergo to a certain degree of integration. We tested this hypothesis by comparing the composition and complexity of the lipophilic and proteinaceous fractions of the epidermal gland secretions of 36 lizard species (Lacertidae), and combining quantitative, phylogenetically-informed analysis with tandem mass spectrometry to identify the proteins responsible for such a potential association. We found the composition and complexity of proteins and lipids to be strongly correlated. Protein composition was mostly influenced by the relative proportion of cholestanol, provitamin D<sub>3</sub>, stigmasterol, and tocopherol, while the complexity of the protein pattern increased with that of lipids. Additionally, two identified proteins (carbonic anhydrase and protein disulfide isomerase) increased their concentration as provitamin D<sub>3</sub> became more abundant. Our results validate the hypothesis of an integration between the lipid and protein fractions of lizard secretions. The prevalence of proteins with enzymatic properties suggests the integration to be more complex than previously thought: proteins may serve to modulate the efficacy, stability, and durability of the signal, by dynamically controlling the chemical environment of the blend. Likewise, we cannot exclude that proteins contribute to the semiochemical function of the mixture, maybe forming with lipids an individual-specific chemical profile. Here we present the original data not available from other, already published researches (i.e., protein electrophoretic profiles and lipid composition). Notably: LM8.xls = excel sheet reporting the percentage concentrations of the eight lipids specifically used to characterize the lipophilic fraction MSdata.zip = mass spectrometry raw files (in .mzXML format) obtained from the analysis of the three molecular weight region related to the increase in provitamin D<sub>3</sub> abundance.
DOI: 10.5281/zenodo.7036726
title: Protein-lipid association in lizard chemical signals

description: Most animal chemical signals comprise a complex mixture of compounds, each with its own chemical properties, which are combined to maximize signal efficacy in a given environment. Such blends forms integrated functional units hypothesized to be shaped by selective forces acting on the functional mixture as a whole, rather than on a single component. Chemical communication plays a pivotal role in lizards, and many species have developed specialized epidermal glands whose secretions are waxy, homogeneous blends of lipids and proteins used for intra- and inter-specific signalling. Lipids are historically considered the main semiochemical source, while proteins provide mere structural support to the lipophilic fraction. Recent discoveries, however, point towards a key signalling role for proteins, as well. The potential signalling functions of both proteins and lipids let use to hypothesise that they should undergo to a certain degree of integration. We tested this hypothesis by comparing the composition and complexity of the lipophilic and proteinaceous fractions of the epidermal gland secretions of 36 lizard species (Lacertidae), and combining quantitative, phylogenetically-informed analysis with tandem mass spectrometry to identify the proteins responsible for such a potential association. We found the composition and complexity of proteins and lipids to be strongly correlated. Protein composition was mostly influenced by the relative proportion of cholestanol, provitamin D<sub>3</sub>, stigmasterol, and tocopherol, while the complexity of the protein pattern increased with that of lipids. Additionally, two identified proteins (carbonic anhydrase and protein disulfide isomerase) increased their concentration as provitamin D<sub>3</sub> became more abundant. Our results validate the hypothesis of an integration between the lipid and protein fractions of lizard secretions. The prevalence of proteins with enzymatic properties suggests the integration to be more complex than previously thought: proteins may serve to modulate the efficacy, stability, and durability of the signal, by dynamically controlling the chemical environment of the blend. Likewise, we cannot exclude that proteins contribute to the semiochemical function of the mixture, maybe forming with lipids an individual-specific chemical profile. Here we present the original data not available from other, already published researches (i.e., protein electrophoretic profiles and lipid composition). Notably: LM8.xls = excel sheet reporting the percentage concentrations of the eight lipids specifically used to characterize the lipophilic fraction MSdata.zip = mass spectrometry raw files (in .mzXML format) obtained from the analysis of the three molecular weight region related to the increase in provitamin D<sub>3</sub> abundance.
DOI: 10.6084/m9.figshare.22730021
title: users.sql

description: information of users that authored the collected vaccine-related tweets. Users’ information including ‘id’, ‘screenName’, ‘name’, ‘profileLocation’, ‘description’, ‘followersCount’, ‘friendsCount’, ‘favouritesCount’, and ‘verified’ were stored in a table.
DOI: 10.6084/m9.figshare.22730021.v1
title: users.sql

description: information of users that authored the collected vaccine-related tweets. Users’ information including ‘id’, ‘screenName’, ‘name’, ‘profileLocation’, ‘description’, ‘followersCount’, ‘friendsCount’, ‘favouritesCount’, and ‘verified’ were stored in a table.
DOI: 10.6084/m9.figshare.22730081
title: Grape Flavor Dataset

description: The grape juice samples were first tested for physical and chemical indicators and then sensory evaluated by professionally trained tasters. Based on objective and subjective data, a data set is formed.
DOI: 10.26179/58rg-4147
title: Law Dome Gravity Readings, 1973-1974
DOI: 10.15151/esrf-es-1078913797
title: The Israeli BAG

description: The Israeli BAG encompass most MX groups in Israel and is highly diverse and versatile in its scientific interests and convictions. In the last year some groups which are not regarded as genuine MX have been joining our BAG as users of the bioSAXS BM29 station adding to the diversity of the BAG. It is not straightforward to set descriptive summary that covers all the topics. A central theme in several BAG members could be regarded is molecular virology such as, the molecular basis for cell entry of viruses, from the Arenaviridae family of viruses, design of Vaccines against HVC by targeting HCV E2 envelope (Env) glycoprotein for neutralizing antibodies (nanobodies). The group of Rouvunski focuses on studying arthropod borne viruses (dengue, West Nile, Zika, Israel Turkey Meningoencephalitis) and recently coronaviruses (SARS-CoV-2, MERS, OC43) and their envelope proteins. On another approach we attempt to discover therapeutics against Chikungunya Virus by targeting the Clk1.
DOI: 10.15151/esrf-es-1183082824
title: coin-cell characterization

description: preliminary experiment for in situ characterization of battery material seated in a iron coin-cell
DOI: 10.15151/esrf-es-1171364414
title: In-situ nano-CT study of bio-fabricated tendon-inspired electrospinning hierarchical scaffolds - for future medical applications (continuati

description: Biomedical scaffolding has been around for decades, however, the main criticism from medical aspects in applied (soft) tissue engineering comes down to the fact that artificial structures cannot carry sufficient hierarchical complexity that is comparable to the real biological bony or soft cartilage material. These prooves to be limitting in currently available technologies. In this work, a novel material produced by electrospinning micro-fibrils at different extrusion rates has proven to provide a sufficiently superior hierarchical structure. Before proceeding towards the mineralisation studies, the main steps lie in the full field mechanical characterisation of these structures, in situ. Consequently, two beamlines (ID16b and ID19) join their capacities. In this work, we will use the same setup as used in IH-LS-3489, on the ID19 beamline to complement the data already gathered on a nano-scale with data captured at a micro-scale (i.e., structural scale).
DOI: 10.15151/esrf-es-1180989411
title: Completion of HC5027

description: Besides transverse and vortex magnetic domain walls, a third type of domain wall has been predicted, and observed in 2D in permalloy nanostrips. We propose to use Fourier transform holography, with our recent developments towards magnetic tomography, to image the 3D structure of this new type of domain walls and compare the results with the published model.
DOI: 10.15151/esrf-es-1183141597
title: PDF Analysis of 6H BaTiO3 and Carbon powders

description: PDF Analysis of 6H BaTiO3 and Carbon powders
DOI: 10.15151/esrf-es-1174622127
title: Interaction of iron with davemaoite at conditions of the Earth’s lower mantle and core mantle boundary

description: The aim of the project is to investigate the effect of iron on the chemical stability of calcium silicate perovskite (CaSiO3) in situ at conditions relevant to the Earth’s lower mantle using powder and single-crystal X-ray diffraction (scXRD) and Synchrotron Mössbauer Source (SMS) at pressures 30 – 130 GPa and temperatures 1800 K – 2500 K.
DOI: 10.15151/esrf-es-1179264742
title: Imaging the postcrania of new species of Biarmosuchian from South Africa and propagation test on amber

description: Imaging of a large block of postcranial fossil material of a new species of biarmosuchian from South Africa. Testing the results of changing propagation distance for phase retrieval of amber fossils on bm18.
DOI: 10.15151/esrf-es-1184848298
title: Temperature behavior of barium carbonates

description: Temperature behavior of barium carbonates
DOI: 10.15151/esrf-es-1108936877
title: Boosting the ethanol synthesis from CO2 hydrogenation over Rh-based catalyst generated via SOMC

description: The Rh-based catalysts have been recently shown promising selectivity towards ethanol in CO2 hydrogenation. Via surface organometallic chemistry (SOMC), a powerful tool for the construction of well-defined model catalysts for an array of reactions, we have synthesized size-homogeneous Rh nanoparticles doped with Fe or Co on SiO2 (RhFe@SiO2 and RhCo@SiO2) to rationalize the effect of various metal promoters. By conducting ex situ as well as in situ x-ray absorption spectroscopy (XAS) experiments to identify the speciation of these bimetallic catalysts especially under working state, we expect to elucidate the interplay between structure and catalytic performance for Rh-based catalyst and the active site for ethanol formation. The outcomes of this proposal will enable to rationally design the next generation of catalysts for CO2 hydrogenation, which would have an important impact on decarbonizing our economy.
DOI: 10.15151/esrf-es-1108937734
title: Monitoring the Growth of 2D Imine-linked COF Single Crystals via in situ USAXS

description: Two-dimensional (2D) covalent organic frameworks (COFs) are highly modular, porous, crystalline polymers. While COFs have several applications, most are synthesized as unoriented aggregates of nanoscale crystallites. Overcoming this challenge, our new synthesis uses a modulator and transimination catalyst to yield single-crystalline, imine-linked 2D COFs in under five minutes as compared to existing month-long syntheses. However, the polymerization itself is not yet well-understood. To investigate key reaction parameters, we will systematically vary our growth conditions and monitor COF formation in situ by ultra-small-angle X-ray scattering at ESRF ID02. We hypothesize that COF single crystals form via simultaneous polymerization and crystallization processes, unlike polycrystalline COFs that polymerize much faster than they crystallize. Collectively, such insights into COF growth will enable rational design of synthetic conditions for single crystals of next generation 2D polymers.
DOI: 10.15151/esrf-es-1108938830
title: Iron localization and speciation in the parasite Toxoplasma gondii

description: Toxoplasma gondii is a ubiquitous intracellular parasite, able to infect almost all warm blooded species and most cell types. This promiscuity requires sophisticated mechanisms to sense, subvert and store nutrients from host cells. Iron is an essential element for almost all life on earth, including T. gondii, however the reactivity which makes it so valuable in enzymatic reactions can be harmful to cells. For this reason, iron is tightly regulated and carefully stored within cells, however the mechanisms by which divergent eukaryotes such as Toxoplasma do this are largely unknown. We are interested in iron in the context of T. gondii infection, specifically where iron is stored within the cells and how infection modulates the host cell iron response. Using the facility at the ESRF, we hope to resolve these questions and determine for the first time how and where iron is stored in the parasite and how it alters the iron balance of the host cell
DOI: 10.15151/esrf-es-1181623927
title: scan the spine of sagitta by micro X-ray diffraction

description: scan the spine of sagitta by micro X-ray diffraction
DOI: 10.15151/esrf-es-1108356214
title: Investigation by 3D nano-imaging of the multiple healing ability and kinetics of new 3D printed high strength Al alloys

description: Al parts might be subjected to overloads leading to voids, cracks and the replacement of the part. A promising solution is thus to use self-healing material. A self-healing Al alloy was produced by LPBF using liquid-asssisted healing strategy. The microstructure is composed of high melting point Al cells surrounded by a lower melting point eutectic network. During an overload, void nucleation occurs due to fracture of the eutectic network. The idea is to apply a heat treatment to trigger the melting of the low melting point eutectic phase which can thus flow and fill the voids due to damage. The healing potential of these LPBF Al-Mg alloys was already proven but the mechanical properties of the developed healable Al-Mg alloy are rather low compared to other high strength Al alloys. Alloying elements were thus introduced in the material and their effect on the healing efficiency should be analysed.
DOI: 10.15151/esrf-es-1108356447
title: X-ray holotomography of human ovarian tissue samples and monitoring cryopreservation effects

description: The knowledge of ovary’s sub-structures is highly required to support advances in reproductive technologies based on ovary tissue cryopreservation. The latter is an important clinical approach to preserve fertility of young women and pre-pubertal girls undergoing oncological therapies. This proposal aims at performing X-ray nano-imaging of human ovarian tissues subjected to cryopreservation and vitrification procedures, and of control ovarian tissues (i.e. not frozen specimens). The high-resolution evaluation will allow to access at the nanoscale unprecedented information on human ovary anatomy and it will be able to reveal any tiny structural effect induced by current cryopreservation methods. Moreover, we expect that this investigation will shed light on poor follicles’ survival rate after transplantation. Therefore, a total of 15 shifts has been requested in order to carry out the experiment.
DOI: 10.15151/esrf-es-1107799541
title: Investigation of Structure-Function Relationships in the Tear Film Lipid Layer by Grazing Incidence X-ray Diffraction on its Central Lipid S

description: We apply for 18 shifts at ID10-EH1 to conduct grazing incidence X-ray diffraction (GIXD) and reflectivity (XRR) experiments on Langmuir films of tear film lipids to continue the experiment SC 5281.These relate to the tear film lipid layer (TFLL) which covers the ocular surface. Its function is poorly understood due to open questions on the molecular level organization and structure. These can be answered by studying the self-assembly of selected TFLL lipids on an aqueous interface. Our unique lipid library containing representatives from the major TFLL lipid classes is well suited for this task. In a preselection process we have studied the surface potential and pressure profiles of the species and selected the most promising ones for GIXD and XRR studies. The ID10-EH1 is specialized for the surface studies enabling thus generation of ground-breaking scientific results. The results play a role in combating ocular surface diseases, which constitute a severe global societal burden.
DOI: 10.15151/esrf-es-1106933962
title: revealing structural mechanisms in high performing baracaloric materials via in situ temperature and pressure dependent x-ray diffraction

description: Barocaloric (BC) materials are solid state compounds that present large thermal changes related to solid-solid phase transitions induced by pressure. It is very important to understand the structural transitions that take place as a function of pressure from 1 bar to 1000 bar in these materials. Recently, a custom-made sample-cell developed at ESRF-SNBL showed that we are able to induce phase transitions in situ with pressure and access a new window into the dynamic structural changes occurring during BC transitions. In this proposal we will examine the dynamic structural changes occurring in situ under pressure and temperature of 6 different materials: [(CH3CH2CH2CH2)4N][M(N(CN)2)3] (M = Mn2+ or Cd2+) [1, 2], (C10H21NH3)2MnCl4 [3], (C9H19NH3)2MnCl4 [3], (NH4)2SO4 [4], and CH(NH2)2I [5], with some of the largest BC tunability and reversible entropy changes known. The measurements will determine key mechanisms dictating BC properties and help to tailor BC properties further.
DOI: 10.15151/esrf-es-1106937182
title: Interaction of iron with davemaoite at conditions of the Earth’s lower mantle and core mantle boundary

description: The aim of the project is to investigate the effect of iron on the chemical stability of calcium silicate perovskite (CaSiO3) in situ at conditions relevant to the Earth’s lower mantle using powder and single-crystal X-ray diffraction (scXRD) and Synchrotron Mössbauer Source (SMS) at pressures 30 – 130 GPa and temperatures 1800 K – 2500 K.
DOI: 10.15151/esrf-es-1106939786
title: Strucutre-activity relationship of V/TiO2 catalyst: exploring by operando HERFD XAS the V5+/V4+ redox cycle in the NH3-SCR pathway

description: Vanadia-based catalysts are the system of choice for the selective catalytic reduction of nitrogen oxides with NH3 (NH3-SCR) in stationary plant applications.. Despite being largely studied, a comprehensive picture of the structure-activity relation at atomistic level for these catalysts is still under way. Furthermore, the NH3-SCR catalytic activity enhancement, due to the presence of HCl in the stationary plant exhaust feed, so far has been largely neglected. To rationalize the active sites oxidation state and redox dynamics, the local structure, and the reaction pathway, with this proposal we aim at systematically investigating a model V/TiO2 catalyst by operando XAS during NH3-SCR. We will focus on high-quality XANES and EXAFS data collection in reaction conditions, to determine the V5+/V4+ redox dynamics, the role of HCl and the coordination of the adsorbed reaction intermediates.
DOI: 10.15151/esrf-es-1106941451
title: HERFD XANES and XES study of the structural transformations in working CoFeOx and NiFeOx nanocatalysts for the oxigen evolution reaction

description: With this experiment, we propose to employ operando HERFD XANES and XES measurements to track the chemical/structural response of size-selected metal oxide nanoparticles (NPs) exposed to oxidizing electrochemical conditions and oxygen evolution reaction (OER) in alkaline electrolyte. In particular, we plan to compare the structure, the composition and their evolution, under OER conditions for a series of CoFeOx and NiFeOx catalysts with well-defined particle sizes. The time-dependent evolution of the oxidation state and the local structure of the transition metal species under working conditions will be followed aiming to observe and rationalize the effect of the particle size and NP composition. In addition to the measurements performed under static conditions, we will explore the response of the catalyst to pulsed reaction conditions, which can provide more details about the charge accumulation in the catalyst and shed new light on the atomistic details of the OER mechanism.
DOI: 10.34740/kaggle/dsv/5580033
title: Elon Musk Tweets
DOI: 10.5281/zenodo.7885212
title: Data supplement for the DEM comparison study

description: Data used for comparing the effects of DEMs on hydrological modeling
DOI: 10.5281/zenodo.7885211
title: Data supplement for the DEM comparison study

description: Data used for comparing the effects of DEMs on hydrological modeling