cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.30170983
title: Azoreductases of <i>Pseudomonas</i> sp. PNPG3: a bioinformatics and molecular simulation study for azo dye detoxification

description: Synthetic dyes represent a significant environmental concern due to their persistence and toxicity. These compounds are extensively used across various industries, especially textiles, and are engineered to resist degradation, making them recalcitrant in natural ecosystems. This study focused on azoreductase (Azo) enzymes as potential bioremediation agents capable of degrading diverse azo dyes. Genome analysis of <i>Pseudomonas</i> sp. strain PNPG3 identified the presence of two distinct Azo genes, which were subsequently subjected to structural modelling. The models exhibited notably high aliphatic index values which are indicative of considerable thermostability. Structural validation of both models were performed using the ERRAT, PROCHECK, and QMEAN4 tools, confirming their reliability. Among the azo dyes evaluated, solvent black 3 exhibited the highest binding affinity, with a binding energy of −10.1 kcal/mol. It formed multiple h bonds and van der Waals interactions within the active sites of Azo-1. Congo red showed a maximum binding energy of −9.4 kcal/mol with Azo-2 from strain PNPG3, forming three h bonds within its active site. The Azo2–solvent black 3 complex exhibited the highest structural stability, as indicated by consistently low RMSD values averaging approximately 0.6 nm. Additionally, the complex maintained a low and uniform RMSF profile ranging from ∼0.2 to 0.34 nm, alongside the formation of multiple h bonds and a notable reduction in SASA, further suggested a more compact conformation with limited solvent exposure. PCA analysis further confirmed this stability. Overall, the study highlights the robust azo dye-degrading potential of strain PNPG3, emphasizing its promise for large-scale dye remediation.
DOI: 10.15151/esrf-es-2212119686
title: The Israeli BAG

description: This Summary will only portray a very limited scope of the BAG proposal due to its size and more information will be available in the Global Summary. We plan establish a comprehensive structural narrative for the assembly and entry of viruses from the Bunyavirales family using X-ray crystallography, biophysics, biochemistry, and molecular virology. Using X-ray crystallography to obtain the 3D structure of GN and GC in different conformations and from different bunyavituses. We will pursue a structure of GN or GC bound to a neutralizing antibody to obtain new data for vaccine design. In the SAXS arena, we plan to continue the study on MT (microtubules) and expand the experiments with different nucleotide type and concentrations, (GTP, GDP, GMPCPP, and GMPPCP, GTP-gammaS). We will perform at selected points SEC-SAXS experiments in the presence of full-length tau (4RL). Our preliminary data revealed that 4RL promote MT assembly at 36C and of single tubulin rings at low temperatures.
DOI: 10.15151/esrf-es-2223375524
title: FInnish National Protein Crystallography Consortium

description: The Finnish BAG encompasses 22 groups active in crystallography in Finland. The projects vary widely and include membrane proteins and protein complexes, other proteins involved in disease and antibiotics and drug development and discovery and protein engineering (ADP-ribosylation and several oncogenic proteins including kinases, biocatalysis, endoplasmic reticulum regulation and protein secretion) and several pathogen proteins and various enzyme targets and e.g. studies on phytochrome photoreceptors as well as membrane protein targets. Overall the BAG serves the national needs for highly variable projects, with different biological and biotechnological applications. Several project will benefit from microfocus beam lines and tunable wavelength options, others benefit from quick robust screening by MASSIF, overall most experiments are conducted with help of remote access.
DOI: 10.15151/esrf-es-2217188900
title: Structural Biology at EMBL Grenoble, IBS-CIBB, IAB and ILL

description: This proposal clusters macromolecular crystallography (MX) and biological small angle X-ray scattering (bioSAXS) projects at the EMBL Grenoble, IBS-CIBB, IAB and ILL. It combines groups working on different topics with a major focus on cell signaling proteins, ubiquitination pathways, nucleic acid-protein complexes, sarcomere development, host-pathogen interactions and drug discovery. The BAG group has been quite productive this last year/reporting period, as summarized in the report, with many results still being further analysed and follow-up experiments planned. Most notably, the BAG has produced 7 PDB depositions, 1 SASDB deposition and 10 publications in peer reviewed journals. The proposers have long-standing experience in the use, as well as the development of beam lines for MX and bioSAXS, and have participated in successive successful BAG applications over the years, mostly at the ESRF. The BAG responsible is again Andrew McCarthy (EMBL Grenoble) for this application round.
DOI: 10.15151/esrf-es-2222254699
title: The origin of living reptiles: a new perspective on evolution through paleobiology using multi-resolution PPC-SRμCT scans

description: Extant reptiles comprise the most diverse group of land vertebrates, but due to an event of rapid radiation, we still do not understand how the major lineages are related to each other. To tackle this long-lasting problem, I aim to examine two new, previously undescribed 3D specimens of Claudiosaurus, a basal, semi-aquatic animal very closely related to living reptiles. As previous attempts to µCT scan them failed, I propose a multi-resolution PPC-SRμCT scan to gain access to its anatomy, dental morphology, and bone histology. The transitional aspect of this animal, both in terms of basal-derived reptile traits and of terrestrial-aquatic environments, makes it an important fossil to understand reptile evolution, phenotypic plasticity, ontogeny, and general paleobiology.
DOI: 10.15468/dl.6u6fzm
title: Occurrence Download

description: A dataset containing 3 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Physella acuta",
 "Country is Peru",
 "HasCoordinate is true"
 ]
}

 The dataset includes 3 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021241-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.kx8qku
title: Occurrence Download

description: A dataset containing 78 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Physella acuta",
 "Country is Poland",
 "HasCoordinate is true"
 ]
}

 The dataset includes 78 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021242-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.r8vwx2
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Physella acuta",
 "Country is Romania",
 "HasCoordinate is true"
 ]
}

 The dataset includes 2 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021243-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15151/esrf-es-2210442387
title: Direct crystallographic study of phase V of solid hydrogen by single crystal X-ray diffraction

description: Measuring crystal structures of hydrogen at ultrahigh pressures is important for understanding the physics of this fundamental quantum solid and its pressure-induced phase transitions, especially metallization. There are multiple phase transitions on the pathway of hydrogen towards its metallization. Direct crystallographic studies of high pressure phases, especially those above multi-megabar pressures, requires state-of-art synchrotron technologies. We recently successfully measured single crystal X-ray diffraction data of phase IV of hydrogen above 200 GPa at multiple nano-probe beamlines. It is a great opportunity to take advantage of the nano-probe at ID27 with the updated 4th generation synchrotron to explore crystal structure of H2 at higher pressures. We target phase V above 325 GPa to verify theoretical models for this phase. Meanwhile, we would get hints on the feasibility of applying such technology for studying hydrogen, eventually metallic hydrogen, at even higher pressure.
DOI: 10.15151/esrf-es-2220632166
title: Exploring structural phase transitions in Heusler Ni49Mn33.4In(15.6-x)Vx (x=0; 0.3; 0.5;1) alloys within the 8-400 K temperature range via T

description: We propose an in-depth investigation of structural phase transitions in Heusler Ni49Mn33.4In(15.6-x)Vx (x = 0, 0.3, 0.5, 1) alloys across a broad temperature range (8 - 400 K) using Thermal-Diffuse Scattering (TDS). These alloys exhibit a significantly reduced thermal hysteresis (~2.3 K) due to improved geometric compatibility between martensitic and austenitic phases, enhancing their potential for reversible magnetostructural transitions under cycling magnetic fields. Understanding the atomic-scale mechanism of structural phase transitions is essential for optimizing solid-state magnetocaloric cooling materials and improving their thermal and mechanical efficiency. Our study will utilize single-crystalline grains (~100 µm), eliminating ambiguities associated with powder-based methods and providing deeper insight into phase coexistence and structural evolution.
DOI: 10.15151/esrf-es-2220632850
title: Capturing Structural Evolution and Reaction Intermediates in (Mn-Nb)O2-F During the Electrochemical OER with Time-Resolved XAS

description: Proton Exchange Membrane Water Electrolysis (PEMWE) is crucial for hydrogen production but relies on scarce platinum group metals (PGMs) like platinum (Pt) and iridium oxide (IrO₂), limiting scalability. A key challenge is the sluggish oxygen evolution reaction (OER) and poor anode stability in acidic conditions, affecting efficiency.[1,2] This work aims to gain a thorough mechanistic understanding of a stable and active PGM-free OER catalyst based on manganese (Mn)-based material doped with niobium (Nb) and fluorine (F). Electrochemical operando XAS will probe catalyst’s structural and electronic properties, revealing how Nb and F enhance stability and activity in PEMWE.
DOI: 10.15151/esrf-es-2228341572
title: Pressure induced ground states in bulk CrSBr

description: We propose to perform high pressure (HP) – Room temperature (RT) and low temperature (LT) single crystal diffraction studies on CrSBr, a layered A-type antiferromagnetic semiconductor (TN~130K) [i]. We want to determine the pressure evolution of the crystal structure and of the lattice parameters at both RT and LT. We will then use these results to calculate the properties of bulk CrSBr with ab-initio calculations and to corroborate these new findings with our Raman scattering data showing signatures of a phase transition and the appearance of a metallic behaviour. This is extremely important to understand the properties of CrSBr under pressure as this A-type AFM is a direct band gap semiconductor which emission properties are correlated to the magnetic ground state and is foreseen to be used as a pressure/strain quantum sensor.
DOI: 10.15468/dl.2er2dt
title: Occurrence Download

description: A dataset containing 4864 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 }
 ]
 },
 "TaxonKey is one of (Spergularia bocconei)"
 ]
}

 The dataset includes 4864 records from 222 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021244-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.r7epby
title: Occurrence Download

description: A dataset containing 21 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Physella acuta",
 "Country is Russian Federation",
 "HasCoordinate is true"
 ]
}

 The dataset includes 21 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021246-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.hmc3x8
title: Occurrence Download

description: A dataset containing 1090 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Physella acuta",
 "Country is Switzerland",
 "HasCoordinate is true"
 ]
}

 The dataset includes 1090 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021249-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zhuk6s
title: Occurrence Download

description: A dataset containing 70683 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "TaxonKey is Carex panicea",
 "Year is less than or equal to 2000",
 "Year is greater than or equal to 1970",
 {
 "or" : [
 {
 "not" : {
 "EstablishmentMeans" : [
 "is one of (MANAGED, INTRODUCED)"
 ]
 }
 },
 "EstablishmentMeans is null"
 ]
 },
 {
 "or" : [
 "CoordinateUncertaintyInMeters is less than 1000",
 "CoordinateUncertaintyInMeters is null"
 ]
 }
 ]
}

 The dataset includes 70683 records from 233 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0021219-250914085247600/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.bumrgg
title: Occurrence Download

description: A dataset containing 814 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Dovyalis caffra (Hook.fil. & Harv.) Warb.)",
 "BasisOfRecord is one of (Specimen, Human Observation, Observation, Living Specimen, Machine Observation, Literature Occurrence)",
 "Geometry POLYGON((-180 -90,180 -90,180 90,-180 90,-180 -90))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1945"
 ]
}

 The dataset includes 814 records from 26 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0014698-250402121839773/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7n9x9q
title: Occurrence Download

description: A dataset containing 77 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Canada",
 "DatasetKey is EOD – eBird Observation Dataset",
 "Geometry POLYGON((-79.83999 43.67166,-79.83331 43.67166,-79.83331 43.67609,-79.83999 43.67609,-79.83999 43.67166))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 77 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0253038-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.rrr4c6
title: Occurrence Download

description: A dataset containing 18 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Indigofera cecili N.E.Br."
 ]
}

 The dataset includes 18 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0253016-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ujvnjt
title: Occurrence Download

description: A dataset containing 27 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Ligularia fargesii (Franch.) Diels"
 ]
}

 The dataset includes 27 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009221-230530130749713/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.b2bbau
title: Occurrence Download

description: A dataset containing 814 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is United States of America",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "TaxonKey is Ipomoea hederifolia L."
 ]
}

 The dataset includes 814 records from 31 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0173296-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.2wwj5d
title: Occurrence Download

description: A dataset containing 746 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "CoordinateUncertaintyInMeters 0.0-1040.0",
 "TaxonKey is Xerochrysum bracteatum (Vent.) Tzvelev",
 "Year 1922-2023"
 ]
}

 The dataset includes 746 records from 33 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0145119-230530130749713/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.wfqxp2
title: Occurrence Download

description: A dataset containing 1596 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pinus massoniana Lamb."
 ]
}

 The dataset includes 1596 records from 69 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0173254-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.daubkz
title: Occurrence Download

description: A dataset containing 1626 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Limenitis helmanni Lederer, 1853"
 ]
}

 The dataset includes 1626 records from 48 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0286283-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.v2cgqy
title: Occurrence Download

description: A dataset containing 34993 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Salvia glutinosa L."
 ]
}

 The dataset includes 34993 records from 293 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0173263-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.fy2h75
title: Occurrence Download

description: A dataset containing 10 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Chile",
 "Geometry POLYGON((-164.48142 -68.90559,-12.51858 -68.90559,-12.51858 -8.09441,-164.48142 -8.09441,-164.48142 -68.90559))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Aplochiton marinus Eigenmann, 1928"
 ]
}

 The dataset includes 10 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0173255-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zh8sxm
title: Occurrence Download

description: A dataset containing 48407 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Apium nodiflorum (L.) Lag."
 ]
}

 The dataset includes 48407 records from 332 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0286290-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.h2u979
title: Occurrence Download

description: A dataset containing 7 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pteroxygonum denticulatum (C.C.Huang) T.M.Schust. & Reveal"
 ]
}

 The dataset includes 7 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0173257-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.t9fbqt
title: Occurrence Download

description: A dataset containing 58 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Canada",
 "DatasetKey is EOD – eBird Observation Dataset",
 "Geometry POLYGON((-79.82775 43.71427,-79.82514 43.71427,-79.82514 43.71718,-79.82775 43.71718,-79.82775 43.71427))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 58 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0253008-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.pwf4mp
title: Occurrence Download

description: A dataset containing 37 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Helictotrichon cycladum (Rech.f. & T.C.Scheff.) Rech.f."
 ]
}

 The dataset includes 37 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0239789-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.hnaphw
title: Occurrence Download

description: A dataset containing 640 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Laurus novocanariensis Rivas Mart., Lousã, Fern.Prieto, E.Días, J.C.Costa & C.Aguiar"
 ]
}

 The dataset includes 640 records from 50 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0173262-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.dp25pu
title: Occurrence Download

description: A dataset containing 453 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Elephas maximus Linnaeus, 1758",
 "Year 2020-2023"
 ]
}

 The dataset includes 453 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0286286-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.uv9g7j
title: Occurrence Download

description: A dataset containing 100 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Astilbe rivularis var. myriantha (Diels) J.T.Pan"
 ]
}

 The dataset includes 100 records from 18 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0173283-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.