cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.21227/exgn-g921
title: Bone Cement Removal with Audio-Monitoring and Erosion Depth

description: This dataset comprises extensive multi-modal data related to the experimental study of ultrasonically excited pulsating fluid jets used for bone cement removal. Conducted at the Institute of Geonics, Ostrava, Czech Republic, the study explores the effect of varying standoff distances on erosion profiles, under controlled parameters including a fixed nozzle diameter, sonotrode frequency, supply pressure, and robot arm velocity. The dataset includes numerical data representing ablation profiles, captured as a large CSV file, and audio recordings captured using a high-resolution microphone. Ablation profiles are measured at standoff distances that span several discrete lengths, ensuring diverse sample conditions. The audio data derives from high-fidelity recordings at a 38.4 kHz sampling rate in .wav format, capturing the fluid jet's impact sounds as it interacts initially with a metal plate and subsequently with the bone cement. This audio information was processed into Mel Spectrograms, which efficiently capture the frequency distribution crucial for predictive analysis. The dataset is organized into training and testing subsets, with the initial portions used to train predictive models leveraging Mel Spectrogram inputs to predict erosion profiles. This dataset offers insights into the dynamic interactions between a pulsating fluid jet and target materials, providing a foundation for predictive modeling in non-invasive surgical procedures.
DOI: 10.15468/dl.3ejy7m
title: Occurrence Download

description: A dataset containing 82736 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Clausocalanidae",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 82736 records from 11 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019346-241107131044228/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.27824478
title: Mechanosensitive channels are versatile exporters in MCF

description: The extracellular export of target compounds is essential for achieving the target productivity of microbial cell factories (MCFs). We used a unique patch-clamp system specialized for microorganisms and demonstrated that mechanosensitive channels (Mscs) export various intracellular low-molecular-weight chemical compounds outside the cell. The Msc exporter improved L-Lys productivity and conferred substantial 5′-IMP fermentative production ability to the <i>Escherichia coli</i> MCF, which lacks inherent 5′-IMP exporters. Channels with low selectivity functioned effectively as MCF exporters. We partially elucidated the underlying mechanism of G46D-induced gain of function (GOF) in MscL, unknown for &gt;25 years. Dynamic gating behavior analysis using molecular dynamics (MD) simulations showed that the kink at A38 in the first transmembrane helix of MscL imparts the GOF by affecting the TM1–TM2 contact, inducing conformational changes in TM1 with loss of hydrophobic stable packing in a closed state in the Leu19–Val23 gate region, and enabling easier opening of G46D than in the wild type. Thus, MD simulation can be employed to effectively analyze the dynamic gating behavior of Mscs and improves their function. Mscs are innovative and versatile exporters of MCFs for improving the production efficiency of target compounds and enabling the fermentation of target compounds lacking natural exporters.<br>
DOI: 10.6084/m9.figshare.27824478.v1
title: Mechanosensitive channels are versatile exporters in MCF

description: The extracellular export of target compounds is essential for achieving the target productivity of microbial cell factories (MCFs). We used a unique patch-clamp system specialized for microorganisms and demonstrated that mechanosensitive channels (Mscs) export various intracellular low-molecular-weight chemical compounds outside the cell. The Msc exporter improved L-Lys productivity and conferred substantial 5′-IMP fermentative production ability to the <i>Escherichia coli</i> MCF, which lacks inherent 5′-IMP exporters. Channels with low selectivity functioned effectively as MCF exporters. We partially elucidated the underlying mechanism of G46D-induced gain of function (GOF) in MscL, unknown for &gt;25 years. Dynamic gating behavior analysis using molecular dynamics (MD) simulations showed that the kink at A38 in the first transmembrane helix of MscL imparts the GOF by affecting the TM1–TM2 contact, inducing conformational changes in TM1 with loss of hydrophobic stable packing in a closed state in the Leu19–Val23 gate region, and enabling easier opening of G46D than in the wild type. Thus, MD simulation can be employed to effectively analyze the dynamic gating behavior of Mscs and improves their function. Mscs are innovative and versatile exporters of MCFs for improving the production efficiency of target compounds and enabling the fermentation of target compounds lacking natural exporters.<br>
DOI: 10.5281/zenodo.14177358
title: 19129_2020_09_06_DownUpshift_2_0_2_glu_ura_mig1msn2_phluorin_00 (part 2)

description: High throughput time lapse experiment. Details can be found on the 'txt' files inside.
DOI: 10.5281/zenodo.14177359
title: 19129_2020_09_06_DownUpshift_2_0_2_glu_ura_mig1msn2_phluorin_00 (part 2)

description: High throughput time lapse experiment. Details can be found on the 'txt' files inside.
DOI: 10.5522/04/27169119
title: Traumatic Brachial Plexus Injury Priority Setting Partnership - Anonymised results survey round 1 - gathering uncertainties - raw data -

description: Traumatic Brachial Plexus Injuries (TBPI) are life changing and can lead to permanent changes in function of the arm and hand. The severity of symptoms can vary greatly from person to person, and between different affected nerves and joints. Symptoms can be short-term, lasting a few months, whereas others can experience continuous and severe problems for the rest of their lives. Symptoms can include pain, numbness, stiffness, muscle weakness and reduced movement in the arm and hand.The James Lind Alliance (JLA) brings together patients, carers, scientists and health and social care professionals in Priority Setting Partnerships (PSPs) to agree what research matters most in given disease areas.This dataset contains data from the round 1 survey of the above PSP. The survey was launched and invited respondents to submit their unanswered research questions about the assessment, diagnosis, treatment and long term follow up of brachial plexus injuries. Data was inputted into a online Google form between January 2023 and March 2023.<br>
DOI: 10.5522/04/27169119.v1
title: Traumatic Brachial Plexus Injury Priority Setting Partnership - Anonymised results survey round 1 - gathering uncertainties - raw data -

description: Traumatic Brachial Plexus Injuries (TBPI) are life changing and can lead to permanent changes in function of the arm and hand. The severity of symptoms can vary greatly from person to person, and between different affected nerves and joints. Symptoms can be short-term, lasting a few months, whereas others can experience continuous and severe problems for the rest of their lives. Symptoms can include pain, numbness, stiffness, muscle weakness and reduced movement in the arm and hand.The James Lind Alliance (JLA) brings together patients, carers, scientists and health and social care professionals in Priority Setting Partnerships (PSPs) to agree what research matters most in given disease areas.This dataset contains data from the round 1 survey of the above PSP. The survey was launched and invited respondents to submit their unanswered research questions about the assessment, diagnosis, treatment and long term follow up of brachial plexus injuries. Data was inputted into a online Google form between January 2023 and March 2023.<br>
DOI: 10.5522/04/27169368
title: Traumatic Brachial Plexus Injury Priority Setting Partnership - Coded dataset R1 survey - gathering uncertainties

description: <br>This dataset contains coded and themed data from the round 1 survey of the TBPI JLA PSP. The survey was launched and invited respondents to submit their unanswered research questions about the assessment, diagnosis, treatment and long term follow up of brachial plexus injuries. Data was inputted into a online Google form between January 2023 and March 2023. Data was coded and summary questions developed ready for evidence checking and entering into an interim survey (launched in Autumn 2023)<br>
DOI: 10.5522/04/27169368.v1
title: Traumatic Brachial Plexus Injury Priority Setting Partnership - Coded dataset R1 survey - gathering uncertainties

description: <br>This dataset contains coded and themed data from the round 1 survey of the TBPI JLA PSP. The survey was launched and invited respondents to submit their unanswered research questions about the assessment, diagnosis, treatment and long term follow up of brachial plexus injuries. Data was inputted into a online Google form between January 2023 and March 2023. Data was coded and summary questions developed ready for evidence checking and entering into an interim survey (launched in Autumn 2023)<br>
DOI: 10.5522/04/27169374
title: Secondary analysis - Traumatic Brachial Plexus Injury Priority Setting Partnership - Unmet needs

description: This dataset contains data from the round 1 survey of the above PSP. The survey was launched and invited respondents to submit their unanswered research questions about the assessment, diagnosis, treatment and long term follow up of brachial plexus injuries. Data was inputted into a online Google form between January 2023 and March 2024. Data was reviewed against the inclusion criteria. The data within this dataset was deemed either out of scope for the PSP or contained comments which pertained to un met needs within the service pathway for Traumatic Brachial Plexus Injuries. The data was coded to provide themes.
DOI: 10.5522/04/27169374.v1
title: Secondary analysis - Traumatic Brachial Plexus Injury Priority Setting Partnership - Unmet needs

description: This dataset contains data from the round 1 survey of the above PSP. The survey was launched and invited respondents to submit their unanswered research questions about the assessment, diagnosis, treatment and long term follow up of brachial plexus injuries. Data was inputted into a online Google form between January 2023 and March 2024. Data was reviewed against the inclusion criteria. The data within this dataset was deemed either out of scope for the PSP or contained comments which pertained to un met needs within the service pathway for Traumatic Brachial Plexus Injuries. The data was coded to provide themes.
DOI: 10.5522/04/27800244.v1
title: Smart Energy Research Lab: Energy tariffs, energy expenditure, and price elasticity of energy use in GB domestic buildings during the 2022/2023 heating season (Figures and data)

description: Figures and underlying data for the report 'Smart Energy Research Lab: Energy tariffs, energy expenditure, and price elasticity of energy use in GB domestic buildings during the 2022/2023 heating season' which analysed:· how GB household energy tariffs changed in the heating season (defined here as October through to March inclusive) of 2022/2023 compared to the previous year,the effect of these price increases on energy usage in terms of price elasticities,how gas and electricity expenditures were affected,the effectiveness of measures adopted by households to changes their energy use in heating season 2022/2023 to reduce energy expenditure, andthe impact the Government’s Energy Price Guarantee (which set a maximum limit on energy unit costs) had on reducing energy expenditure.
DOI: 10.5522/04/27800244
title: Smart Energy Research Lab: Energy tariffs, energy expenditure, and price elasticity of energy use in GB domestic buildings during the 2022/2023 heating season (Figures and data)

description: Figures and underlying data for the report 'Smart Energy Research Lab: Energy tariffs, energy expenditure, and price elasticity of energy use in GB domestic buildings during the 2022/2023 heating season' which analysed:· how GB household energy tariffs changed in the heating season (defined here as October through to March inclusive) of 2022/2023 compared to the previous year,the effect of these price increases on energy usage in terms of price elasticities,how gas and electricity expenditures were affected,the effectiveness of measures adopted by households to changes their energy use in heating season 2022/2023 to reduce energy expenditure, andthe impact the Government’s Energy Price Guarantee (which set a maximum limit on energy unit costs) had on reducing energy expenditure.
DOI: 10.5522/04/27800277
title: Smart Energy Research Lab: Aggregated statistics of energy use in GB gas heated domestic buildings during the 2022/2023 heating season

description: Aggregated statistics for accompanying report that describes how gas and electricity use in GB households changed during the heating season of 2022/2023 compared to the previous year.
DOI: 10.5522/04/27800277.v1
title: Smart Energy Research Lab: Aggregated statistics of energy use in GB gas heated domestic buildings during the 2022/2023 heating season

description: Aggregated statistics for accompanying report that describes how gas and electricity use in GB households changed during the heating season of 2022/2023 compared to the previous year.
DOI: 10.15151/esrf-es-1893862973
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-1975739940
title: Test of nano-beam compatibility with a solid state battery cell filled with a garnet type material (Li6.6La3Zr1.6Ta0.4O12, LLZTO ) for X-ra

description: I will test the compatibility of the upgraded cell with the nano-hutch environment. I will also acquire data to verify the quality of the signal-to-noise ratio, and I will use these data for improving the data analysis. Similar experiments have already been conducted in April (IH-MA-487).
DOI: 10.15151/esrf-es-1979187762
title: PDF on ex-situ capillaries

description: PDF on ex-situ capillaries
DOI: 10.15151/esrf-es-1917568640
title: Determining controls on shear instabilities in dehydrating gypsum

description: The interaction between dehydration reactions and deformation in metamorphic environments is important in tectonics. While experiments have been run to understand how dehydration reactions and deformation interact, there is still a gap in our understanding because previous work could not simultaneously resolve the temporal and spatial evolution of grain-scale processes. Here we propose to use operando 4D microtomography (4DµCT) to directly document dehydration in shearing rocks on the grain scale, allowing us to unequivocally determine conditions where dehydration can lead to shear instabilities.We will react and shear gypsum fault gouge and pre-cut gypsum rocks at a range of conditions and collect discrete 4DµCT data while monitoring sample strength and permeability. The resulting data will link grain-scale processes to the macro-scale evolution of the samples allowing the formulation of models for the coupling between processes in dehydrating deforming rocks.
DOI: 10.15151/esrf-es-1917572824
title: Structure and Dynamics of Hydrogen Inserted in Siliceous Zeolites at High Pressure and Cryogenic Temperatures.

description: Solid-like nanophases of hydrogen can occur confined in porous materials under much milder pressures and temperatures than those at which bulk solid hydrogen is observed. The goal of this proposal is to study the formation and the metastability of such phases in the pores of zeolites at high pressures and low temperatures by following the pore and unit cell volumes of the zeolites precisely as functions of pressure and temperature by x-ray diffraction. In this way, the metastability of the swelled, H2 filled states at low temperature can be determined, which could have implications for hydrogen storage applications.
DOI: 10.15151/esrf-es-1965544227
title: Exploring strain engineering of epitaxial oxide membranes to enhance oxygen evolution electrocatalysis

description: Complex oxides are increasingly recognized as promising alternatives to precious metals in the field of electrocatalysis due to their high catalytic activity and tailorable properties. The correlation between the structure of these oxides and their catalytic activity suggests that strain engineering could be an effective strategy for enhancement of the catalytic effect. However, current methods for strain engineering are limited to epitaxial growth on selected number of substrates with specific lattice parameters. We aim to develop a versatile, cheap and easily accessible approach for tuning the strain of epitaxial oxide membranes and the objective of this proposal is to explore how the strain influences the electrocatalytic performance of these membranes, specifically during oxygen evolution reaction (OER). We will use a specific designed electrocatalysis cell to study in operando the strain in epitaxial oxide membranes by simply bending or stretching the membranes.
DOI: 10.15151/esrf-es-1916843429
title: Displacive Jahn-Teller suppression on a triangular lattice with pressure

description: We have studied the variable-temperature (VT) structure in NaNiO2, a Jahn-Teller (JT) distorted battery cathode material with a triangular lattice, and uncovered a new and unusual phenomenon: the local JT distortion is suppressed at the same temperature as the cooperative JT (cJT) distortion in a displacive transition. This contrasts with the widely-studied perovskites, where JT distortions persist locally even when the cJT distortion disappears (an order-disorder transition). Displacive JT transitions are unreported and must be explored further.
To investigate this under a different set of conditions, we performed variable-pressure (VP) diffraction on NaNiO2 and found that the cJT effect disappears at a symmetry-increasing transition above ~22 GPa. If the VT phenomenon is due to the triangular lattice, then the VP transition should coincide with a local JT vanishing, by analogy with the VT transition. To test this, we propose to study the Ni environment in NaNiO2 using VP-EXAFS.
DOI: 10.15151/esrf-es-1916846160
title: In Situ Visualisation of Zeolite Anisotropic Framework Flexibility During Catalysis

description: Zeolites play an important role in the fields of heterogeneous catalysis and separation processes. Despite significant achievements made so far, the fundamental understandings of molecular adsorption and diffusion under the confinement of nanoporous zeolites is still a challenging question. Zeolites exhibit framework flexibility driving their chemical and catalytic properties. Using in situ time-resoved Bragg coherent X-ray diffraction imaging at ESRF/ID01, we aim to unveil the dynamics of the zeolite structure during catalysis. We aim to investigate the dynamics of the crystal lattice deformations taking place during adsorption, diffusion and chemical reaction in the nanoporous zeolites. We will follow the zeolites during the bio-ethanol adsorption and ethanol dehydration reaction in order to reveal their lattice dynamics behaviour at the nanoscale level. Understanding zeolite flexibility would permit to tune zeolites properties towards higher adsorption and selectivity.
DOI: 10.15151/esrf-es-1916846898
title: HP-HT behavior of ankerite as a function of Fe content and cation disorder

description: Carbonates are the most important C–bearing minerals and key phases in the Earth’s carbon cycle. Their complex stability fields at HP – HT conditions are strongly influenced by both chemical composition and cation ordering. As in the lower mantle the carbonates composition is supposed to be enriched in Fe, the importance of a deep knowledge of the behaviour of (dis)ordered Fe-bearing carbonates at non-ambient conditions is evident. However, the stability of (dis)ordered ankerite Ca(Mg1-xFex)(CO3)2 (0≤x≤0.7) and its polymorphs at HP – HT is a poorly explored field. The present proposal is aimed at studying the crystal structure evolution of both ordered and disordered ankerites from room conditions up to 70 GPa and 800 K, by means of high-resolution SC-XRD experiments. The obtained results will allow to cover P – T conditions from (cold and hot) subducting slabs towards the Earth's mantle, integrating the phase stability of ankerite with the effect of cation disorder.
DOI: 10.15151/esrf-es-1916847128
title: Impact of ocean acidification (OA) on stony coral skeletons in early coral polyp formation

description: The vulnerability of stony coral to environmental ocean acidification (OA) is of paramount concern in light of the imminent climate changes. We are studying the spatial distributions and arrangements of the CaCO3 crystalline phases within the early-formed coral polyps, for which sub-micrometer X-ray beams (&lt; 100 nm) are essential. Previous FIB-SEM measurements on lamella containing rapid-accretion and thickening deposits lacked nanoscale tomographic imaging, preventing us from resolving the structures of larva grown under normal (pH 8.2) and acidic (pH 7.6) conditions. ID16B combines the possibility to collect nanoCT of our FIB lamella and perform XRD and XRF mapping, to identify Sr rich domains, and to map calcite within the aragonite-rich crystal domains. Lab-grown samples under normal and simulated OA conditions will reveal at ID16B the nano- and microstructural adaptations of stony corals, possibly revealing paths to sustain calcification in future acid-affected ocean environments.
DOI: 10.15151/esrf-es-1916848414
title: Determining the role of Fe-chaperone Mt080 in iron distribution in Medicago truncatula root nodules

description: Iron delivery to target proteins is not through diffusion (free iron is toxic) but through protein-protein interactions with proteins known as iron-chaperones. While iron-chaperones have been studied in mammals, no orthologue is known in plants. Evidence from our lab has provided the identity of one candidate plant Fe-chaperone: Mt080. This protein has the iron-binding domain of mammalian iron-chaperones, interacts with iron transporter NRAMP1, the main iron importer for Medicago truncatula root nodule cells, and its mutation results in reduced nitrogenase activity (an enzyme with 38 iron atoms). We propose to use ID21 to determine how iron distribution is affected by Mt080 mutation, supporting its role as iron-chaperone. Moreover, we would like to address how the cells accommodate for this altered iron delivery pathway by determining iron speciation changes in the mutant lines, using XANES. All this information will be used to finalize a publication on the biological role of Mt080.