cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.57710/alba-es-20250340297
title: An XAS Study for Understanding Charge Storage Mechanism of Hybrid AC-Decavanadate Electrode Material

description: Polyoxovanadates can be utilised for both high power and energy applications thanks to their multi-electron transfer during charge-discharge but suffer from extremely poor cyclability. A novel approach involving the in-situ synthesis of decavanadate within activated carbon pores has successfully improved both long-term cyclability and ultra-fast charge transfer kinetics. Electrochemical tests show that these hybrid materials can performed better as anodes in asymmetric supercapacitors. However, the total number of electrons when they act either as positive or negative electrodes is not clear; therefore, the utilization rate is unknown. Besides, vanadium has several oxidation states which could coexist within the POM structure. This study aims to investigate the number of electrons and oxidation states involved in charge and discharge processes in these materials through operando XAS measurements to understand their higher stability and rate capability.
DOI: 10.57710/alba-es-20250340176
title: Investigation of Voltage Decay Mechanism of Corrugated Zigzag O3-NaMnO2 cathode in the Sodium-ion Batteries

description: Rechargeable sodium-ion batteries are promising for large-scale energy storage owing to the abundance of sodium and its low cost1. O3-NaMnO2 type layered transition metal oxides have received great attention due to their high theoretical specific capacity (265 mAh g-1), cost benefits and sustainable resource supply. Nevertheless, the local Mn3+ John-Teller (J-T) distortion will trigger co-operative J-T followed by structural collapse, leading to the loss of reversible capacity upon Na+ extraction/insertion in α-NaMnO2 (monoclinic)2. Here, we propose mitigate severe co-operative J-T distortion by employ the β-NaMnO2 form (orthorhombic) as cathode which is distributing the strain more evenly across the crystal lattice3. However, the electrochemical performance remains unsatisfactory. Here, we introduce high-valence Nb into the Mn site of β-NaMnO₂ to optimize the local coordination environment and reduce lattice strain energy, thereby stabilizing the structure. Despite these efforts, the mechanisms underlying voltage decay, structural degradation, and stacking disorder in β-NaMnO₂ during cycling remain largely unexplored. This work aims to investigate the voltage decay mechanism and structure evolution of β-NaMnO₂ using advanced X-ray Absorption Spectroscopy (XAS), complemented by operando X-ray diffraction (XRD) and pair distribution function (PDF) analysis, to deconvolute the key factors contributing to degradation. Concerning the long-standing analytical challenge in characterising the voltage decay which related the local structure, operando XAS would be critical to gaining insights into these materials crystallographic and electronic structure to establish their structure-property relationship for further performance enhancement.
DOI: 10.15468/dl.2gcu3v
title: Occurrence Download

description: A dataset containing 78159 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Aedes, Anopheles, Culex)",
 "Country is Mexico",
 "HasCoordinate is true"
 ]
}

 The dataset includes 78159 records from 25 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002976-260120142942310/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.57710/alba-es-20250340241
title: Probing Structural Dynamics in Thin Films of Responsive Molecular Materials: GIWAXS Study of Anisotropic Thermal Expansion and Solid-State Transformations

description: Thermosalient materials exhibit dynamic structural transformations under temperature variations, making them promising candidates for applications in actuators, sensors, and flexible electronics. Recently, single crystals of PT-BTD (4,7-bis[5-(4-nonylphenyl)-2-thienyl]-5,6-dimethoxy-2,1,3-benzothiadiazole) have demonstrated remarkable thermosalient behavior, characterized by large anisotropic crystal elongation and reversible mechanical motion. The thermosalient behavior in PT-BTD  is linked to its layered molecular packing and flexible nonyl chains, which facilitate large-scale structural transformations upon heating.


While this phenomenon has been studied in bulk crystals, its behavior in thin-film form remains unexplored, which is the focus of this proposal.  Using Grazing-Incidence Wide-Angle X-ray Scattering (GIWAXS), we will monitor temperature-induced structural transition in thin films of  PT-BTD.  With respect to the thermosalient property, we expect to bridge the knowledge gap between bulk and thin-film structural behavior of PT-BTD, in particular in relation to the anisotropic thermal expansion (in-plane and out-of-plane), temperature-induced structural phase transitions, and the reversibility of the changes upon cooling down the films. Additionally, the study will extend to two PT-BTD derivatives and assess their impact on electrical properties via operando structural and electrical measurements in thin-film transistors.


These findings could pave the way for integrating thermosalient materials into adaptive electronic devices.
DOI: 10.5281/zenodo.18234460
title: A Synthetic, Clinically Inspired Neonatal Dataset for Multi-Class Disease Prediction and Trust-Aware Machine Learning

description: This dataset provides a synthetic, clinically inspired collection of neonatal health records designed to support methodological research in machine learning. It focuses on multi-class neonatal disease prediction across nine clinically motivated outcome categories and is intended for studies in trust-aware modeling, uncertainty estimation, confidence-aware decision logic, and calibration analysis.

The dataset is entirely synthetic and does not contain any real patient data. It is designed as a research-enabling resource and is not clinically validated. It must not be used for diagnosis, treatment planning, or real-world medical decision-making.

All features are provided in a single consolidated dataset file. An accompanying metadata file documents clinically inspired feature groupings corresponding to conceptual stages of maternal, birth-related, and postnatal information. These stage definitions are provided for research guidance only and do not impose any constraints on how the dataset must be used.

The dataset has been developed as part of doctoral research focused on advancing trustworthy and transparent machine learning frameworks for neonatal health applications.
DOI: 10.15468/dl.q9jmbq
title: Occurrence Download

description: A dataset containing 8446 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((8.83707 45.48652,9.01647 45.48652,9.01647 45.59492,8.83707 45.59492,8.83707 45.48652))",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 8446 records from 25 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0003006-260120142942310/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.57710/alba-es-20250340433
title: Defect-Engineered Layered Double Hydroxides for Enhanced Bisphenol-A Degradation

description: Bisphenol A (BPA), a pervasive exogenous endocrine disruptor, poses significant health risks to humans. In daily life, individuals are exposed to BPA through various pathways, with water bodies being a primary source of contamination. This widespread contamination highlights the urgent need for effective strategies to mitigate BPA pollution in our environment. Our work on advanced oxidation processes for BPA degradation using Peroxymonosulfate (PMS) activation by layered double hydroxides (LDH) has shown that the defects play a key role in the degradation enhacement.  Since the ratio between divalent and trivalent cations plays a pivotal role in the formation of the layered structure, and the coordination environment of Co and Cu critically influences the material’s catalytic degradation performance. We are modulating the pH to promote the oxidation of Co2+ to Co3+ and the generation of oxygen vacancies which are instrumental for enhancing the degradation rate. In addition, as an alternative methodology, we are promoting cation vacancies in CoFe-LDH. Here we propose to use X-ray absorption spectroscopy to study the oxidation state and the coordination of the metal cations in the different LDH materials. We will perform the measurements on the as-synthesized samples and on the samples after the BPA degradation reaction to understand the different degradation performances.
DOI: 10.6073/pasta/e0ea672995bd1f13eee0cce9ca8a3b23
title: PIE LTER 15-minute meteorological data from the Marshview Farm weather station located in Newbury, MA, year 2025

description: Meteorological measurements for 2025 at MBL Marshview Farm, Newbury, MA. Sensors conduct measurements every 5 seconds and measurements are reported as averages or totals for 15 minute intervals. 15 minute averages are reported for air temperature, humidity, solar radiation, PAR, wind speed and direction and barometric pressure. 15 minute totals are reported for precipitation.
DOI: 10.15468/dl.qxzghh
title: Occurrence Download

description: A dataset containing 1126 species occurrences available in GBIF matching the query:
{
 "and" : [
 "GadmGid is COL.2_2",
 "OccurrenceStatus is Present",
 "TaxonKey is Aburria aburri"
 ]
}

 The dataset includes 1126 records from 15 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0003010-260120142942310/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.57710/alba-es-20250340203
title: Active phase of metal-doped C3N4 ultrananosheets for photocatalytic H2 production.

description: H2 has been recognized as a promising renewable energy vector. Methanol is a desired candidate as sacrificial agent for photocatalytic H2 production, because of its high H content and its availability from a wide range of renewable processes, covering biomasses valorization and CO2 reduction. A serie of metal-doped single atoms C3N4 ultrananosheets (SA-UNS) materials has been tested for photocatalytic dehydrogenation of methanol, observing different performance depending on the chemical nature of metal (Pt and Pd) and its loading (0.3 - 1.0 wt%). For this proposal, the high specificity of XAS technique will be exploited to reveal the structure of the representative M(SA)/UNS after irradiation during photocatalytic dehydrogenation of methanol. We expect to highlight the nature of the metal dopants, discriminating between the formation of single atoms or metal nanoparticles. Important will be elucidating the evolution of the metal active phase with irradiation time, to be related with the photocatalytic performance observed. The information regarding chemical state and local structure around the metal dopants will be crucial to understand the working mechanism of the materials and will help in design of photocatalysts with improved performance.
DOI: 10.57710/alba-es-20250340148
title: In Situ XAS Study on the Dynamic Structural Evolution of Metal-Organic Frameworks for Efficient Oxygen Evolution Electrocatalysis

description: Metal-organic frameworks (MOFs), featuring well-defined metal active sites and unique coordination environment, have recently emerged as ideal model catalysts for establishing precise structure-activity relationships in oxygen evolution reaction (OER). However, elucidating essential catalytic mechanisms responsible for dynamic reaction conditions remain challenging, primarily due to the complicated adsorption behavior and cross-step transfer of key adsorbates during OER. Herein, we propose a defect-driven stepwise activation strategy to meticulously control the adsorption behavior for defective Co-based MOF (termed D/CoFc-MOF) through tailoring the interplay between local coordination geometry and electronic configuration. Theoretical calculations, complemented by surface phase diagrams, demonstrate that reaction intermediates (OH*, O*, and OOH*) can be sequentially activated, thereby overcoming high reaction barrier induced by cross-step transfer. Operando attenuated total reflection Fourier transform infrared (ATR-FTIR) and Raman characterizations reveal that D/CoFc-MOF undergoes a unique stepwise activation during OER, progressing from FeOOH state to coexistence intermediate FeOOH/CoFeOOH state, and ultimately to active CoFeOOH phase, which markedly differs from conventional single-step surface phase conversion. However, a fundamental challenge lies in directly probing the real-time evolution of local coordination structure and electronic states of active sites under operational conditions, which is essential for establishing quantitative structure-activity relationships and accelerating the development of efficient MOF-based catalysts. In-situ X-ray absorption spectroscopy (XAS) offers a powerful approach to unravel (a) the stepwise structural transformation from pristine MOF structure to CoFeOOH, (b) the sequential activation and optimization of local coordination environment, and (c) the impact of defect-driven stepwise activation strategy on charge transfer and electronic interaction around active sites. This will provide fundamental insights into the design of catalysts prone to dynamic phase transitions.
DOI: 10.57710/alba-es-20250330015
title: X-ray absorption spectroscopy to access the local structural and electronic properties of the matter

description: HERCULES session on the CLAESS beamline mainly aims to share with students the theoretical and practical knowledge of XAS experiment performing. During this session participants will do a sample preparation, attend setup installation and spectral data collation. Aquired data will used for the analysis at the following tutorial.
DOI: 10.15468/dl.utte4c
title: Occurrence Download

description: A dataset containing 41703 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Galeocerdo cuvier",
 "HasCoordinate is true",
 "OccurrenceStatus is Present"
 ]
}

 The dataset includes 41703 records from 172 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0003009-260120142942310/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.7gnzed
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{"type":"and","predicates":[{"type":"within","geometry":"POLYGON ((118.266 1.965181, 118.195696 1.959612, 118.127125 1.943044, 118.061975 1.915885, 118.001852 1.878804, 117.948238 1.832715, 117.902451 1.778753, 117.86562 1.718247, 117.83865 1.652688, 117.822204 1.58369, 117.816687 1.512953, 117.822233 1.442218, 117.838704 1.373227, 117.865695 1.307678, 117.90254 1.247185, 117.948331 1.193237, 118.001941 1.147162, 118.06205 1.110094, 118.127179 1.082945, 118.195725 1.066384, 118.266 1.060818, 118.336275 1.066384, 118.404821 1.082945, 118.46995 1.110094, 118.530059 1.147162, 118.583669 1.193237, 118.62946 1.247185, 118.666305 1.307678, 118.693296 1.373227, 118.709767 1.442218, 118.715313 1.512953, 118.709796 1.58369, 118.69335 1.652688, 118.66638 1.718247, 118.629549 1.778753, 118.583762 1.832715, 118.530148 1.878804, 118.470025 1.915885, 118.404875 1.943044, 118.336304 1.959612, 118.266 1.965181))"},{"type":"equals","key":"CLASS_KEY","value":"212","matchCase":false},{"type":"greaterThanOrEquals","key":"YEAR","value":"2015","matchCase":false},{"type":"not","predicate":{"type":"in","key":"BASIS_OF_RECORD","values":["MATERIAL_CITATION","MATERIAL_SAMPLE","PRESERVED_SPECIMEN"],"matchCase":false}},{"type":"lessThanOrEquals","key":"COORDINATE_UNCERTAINTY_IN_METERS","value":"10000","matchCase":false},{"type":"equals","key":"LICENSE","value":"CC BY 4.0","matchCase":false}]}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0003011-260120142942310/datasets/export for details.
DOI: 10.57710/alba-es-20250340208
title: Influence of metal precursor in the structure and electrocatalytic response of Fe,Co-N/C single atom catalysts synthesized by Laser pyrolysis: a XANES and EXAFS study

description: In the last decade Single-Atom Catalysts (SACs) have become the new frontier in heterogeneous catalysis. Because of their atomic dispersion, SACs ideally represent the utmost
utilization of metals, where every atom is, in principle, able to participate in the catalytic reaction. Moreover, the support anchoring the SACs plays a role in tuning their activity and selectivity, not unlike the ligands in homogeneous organometallic catalysis. For these reasons SACs has been invoked as the link able to bridge homogeneous and heterogeneous catalysts, leveraging the best features of both worlds. So far, SACs have offered promising results in a variety of fields, including energy, environmental and biomedical applications. However, achieving the full potential of SACs will require not only a rational design based on a better theoretical understanding of the SAC support interaction, but especially, a new generation of synthesis methods capable of delivering the required catalytic structures.
Stabilizing atomically dispersed metal atoms (or even low-number clusters) remains a formidable synthesis challenge due to the high surface energy of single atoms. Current synthesis methods to obtain SACs include high temperature treatments of organic precursors such as Metallic Organic Frameworks, photochemically induced reductions under refrigeration or the atomic layer deposition of organometallic precursors. These protocols often involve multiple steps, post-treatments and the use of additives to minimize aggregation, increasing cost, lowering reproducibility and hampering the scaling-up.
We have developed the laser-driven pyrolysis of aerosolized precursors into a powerful technique able to produce homogeneous M-N@C SACs (M = Fe, Co) with high metal loading. The generated SACs will be exploited in electrochemical reactions for green-energy production, such as, oxygen reaction reduction. XANES and EXAFS at the K-edge of the non-noble catalyst, single atom of Fe is necessary to fully characterize Fe-N@C samples, determining Fe-neighbour distances, chemical state and aggregation depending on Fe % in weight.
DOI: 10.57710/alba-es-20250330157
title: Ex situ Ca phosphates

description: Ex situ XAS measurements of Ca phasphates to complete mineral phase analysis
DOI: 10.57710/alba-es-20250330081
title: Electrochemical study for transition metals electrode systems

description: The project of the proposal aimed to identify structural changes in the TM electrodes in operando conditions. The assembled battaries will be cycled according to standard protocol using Biologic potentiostat of CLAESS bl. The transition metal K-edges will be probed using XAS techniques in fluorescence regime. The data will be analised using standard 1st shell Fourier analysis (for EXAFS) and MCR (for XANES) methods.
DOI: 10.15468/dl.3f5924
title: Occurrence Download

description: A dataset containing 1072 species occurrences available in GBIF matching the query:
{"type":"and","predicates":[{"type":"within","geometry":"POLYGON ((-73.25700000000001 4.677157, -73.327496 4.671587, -73.396252 4.655014, -73.461574 4.627848, -73.52185 4.590757, -73.575596 4.544657, -73.621486 4.490685, -73.658393 4.43017, -73.685408 4.364605, -73.701869 4.295605, -73.707373 4.224869, -73.70178799999999 4.15414, -73.685255 4.085157, -73.658182 4.019621, -73.62123800000001 3.959142, -73.575335 3.905209, -73.521602 3.859149, -73.46136300000001 3.822094, -73.39609900000001 3.794956, -73.327415 3.778401, -73.25700000000001 3.772837, -73.18658499999999 3.778401, -73.117901 3.794956, -73.052637 3.822094, -72.99239799999999 3.859149, -72.938665 3.905209, -72.892762 3.959142, -72.855818 4.019621, -72.828745 4.085157, -72.812212 4.15414, -72.80662700000001 4.224869, -72.81213099999999 4.295605, -72.828592 4.364605, -72.85560700000001 4.43017, -72.89251400000001 4.490685, -72.93840400000001 4.544657, -72.99215 4.590757, -73.052426 4.627848, -73.11774800000001 4.655014, -73.186504 4.671587, -73.25700000000001 4.677157))"},{"type":"equals","key":"CLASS_KEY","value":"212","matchCase":false},{"type":"greaterThanOrEquals","key":"YEAR","value":"2015","matchCase":false},{"type":"not","predicate":{"type":"in","key":"BASIS_OF_RECORD","values":["MATERIAL_CITATION","MATERIAL_SAMPLE","PRESERVED_SPECIMEN"],"matchCase":false}},{"type":"lessThanOrEquals","key":"COORDINATE_UNCERTAINTY_IN_METERS","value":"10000","matchCase":false},{"type":"equals","key":"LICENSE","value":"CC BY 4.0","matchCase":false}]}

 The dataset includes 1072 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0003012-260120142942310/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.57710/alba-es-2024098637
title: Magnetic field-dependent X-ray holography for magnetic imaging of interaction domains in nanostructured Nd-Fe-B permanent magnet

description: Nd-Fe-B magnets are essential for environmentally friendly energy conversion in electric motors and generators. Nanostructured magnets offer great potential for permanent magnets with a lower amount of critical heavy rare earths. Using X-ray holography, we aim to measure the magnetic domain structure of nanostructured hot-deformed Nd-Fe-B magnets at different external magnetic fields along the second quadrant of the hysteresis curve to understand the influence of microstructure on the formation of interaction domains and to unravel their complicated mechanisms of coercivity and magnetization reversal. The BOREAS beamline and MARES end station have proven to provide the necessary high-resolution magnetic imaging for studying the topology of the domains and the morphology of the domain walls with a resolution down to ~ 30 nm. We plan to use a combination of coherent diffractive imaging based on X-ray holography and heterodyne amplification of the weak magnetic scattering signal using a custom-built gold mask placed on top of the sample. With this technique, resolutions in the sub-10 nm range have recently been achieved.
DOI: 10.15468/dl.7hejv4
title: Occurrence Download

description: A dataset containing 328 species occurrences available in GBIF matching the query:
{
 "and" : [
 "OccurrenceStatus is Present",
 "TaxonKey is Costasiella kuroshimae"
 ]
}

 The dataset includes 328 records from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0003013-260120142942310/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.13140/rg.2.2.12609.01124
title: Teaching & Learning Guide - Apartheid Moral Panics, Christian Nationalism & Fake Satanists: Busting the Myth of Occult Crime in South Africa