cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.27888614
title: Linear free energy relationship modelling for predicting metal-ligand stability constants by thermodynamic radii

description: The thermodynamic radii of 15 metal ions Ag<sup>+</sup>, Al<sup>3+</sup>, Am<sup>3+</sup>, Ba<sup>2+</sup>, Be<sup>2+</sup>, Fe<sup>3+</sup>, Ga<sup>3+</sup>, Hg<sup>2+</sup>, In<sup>3+</sup>, K<sup>+</sup>, Li<sup>+</sup>, Na<sup>+</sup>, NpO<sub>2</sub><sup>+</sup>, Sr<sup>2+</sup>, and UO<sub>2</sub><sup>2+</sup> were calculated by linear free energy relationship modelling using 8269 experimental stability constants (log<i>K</i>) of ML complexes of 42 metal ions (M) and 1990 diverse organic ligands (L) in water. The predictive performance of relationships on the base of the thermodynamic radii was estimated on 5272 combinations of ligands and metal ion pairs of external test sets. Squared determination coefficient (Rdet2) and root mean squared error (<i>RMSE</i>) of log<i>K</i> predictions are 0.801 and 2.4 for combined data of the test sets, respectively. The corresponding performances for the 3003 combinations of training data are Rdet2 0.921 and <i>RMSE</i> 1.7.
DOI: 10.6084/m9.figshare.27888614.v1
title: Linear free energy relationship modelling for predicting metal-ligand stability constants by thermodynamic radii

description: The thermodynamic radii of 15 metal ions Ag<sup>+</sup>, Al<sup>3+</sup>, Am<sup>3+</sup>, Ba<sup>2+</sup>, Be<sup>2+</sup>, Fe<sup>3+</sup>, Ga<sup>3+</sup>, Hg<sup>2+</sup>, In<sup>3+</sup>, K<sup>+</sup>, Li<sup>+</sup>, Na<sup>+</sup>, NpO<sub>2</sub><sup>+</sup>, Sr<sup>2+</sup>, and UO<sub>2</sub><sup>2+</sup> were calculated by linear free energy relationship modelling using 8269 experimental stability constants (log<i>K</i>) of ML complexes of 42 metal ions (M) and 1990 diverse organic ligands (L) in water. The predictive performance of relationships on the base of the thermodynamic radii was estimated on 5272 combinations of ligands and metal ion pairs of external test sets. Squared determination coefficient (Rdet2) and root mean squared error (<i>RMSE</i>) of log<i>K</i> predictions are 0.801 and 2.4 for combined data of the test sets, respectively. The corresponding performances for the 3003 combinations of training data are Rdet2 0.921 and <i>RMSE</i> 1.7.
DOI: 10.14457/nida.the.2007.155
title: The pattern of family settlement in Bangkok metropolitan area
DOI: 10.15151/esrf-es-2114000391
title: Development of novel small molecules to target cellular pathways

description: Small molecules represent powerful tools to dissect physiological and pathological states of signaling pathways, yet require characterization through X-ray crystallography. This proposal encompasses the investigation of new classes of small molecules that target difficult proteins and non-typical binding sites. This includes the development of supramolecular compounds or cyclic peptides to address “non-druggable" proteins. The main collaborative research fields are tackling Ras protein signaling with structure-guided ligand design, developing inhibitors of the Ras-binding protein PDEd, screening of a novel sp3-enriched fragment library or targeting genetic regulators. Cellular signaling will also be addressed through the structural analysis of deubiquitinating enzymes or regulators of the kinetochore. Finally, we plan to crystallize membrane proteins including GPCRs in order to understand their biological function, characterize their ligand specificity and develop novel regulators.
DOI: 10.14457/nida.the.2004.374
title: Model selection criteria for autoregressive and autoregressive moving average models based on Kullback symmetric divergence
DOI: 10.14457/nida.the.2007.156
title: The role of return migrants on rural development
DOI: 10.14457/nida.the.2001.431
title: Health needs assessment for reinventing health centers in Bangkok Metropolis
DOI: 10.14457/nida.the.2005.384
title: Estimating the Binomial proportion and the risk difference in multi-center studies with adjusting sparsity
DOI: 10.15151/esrf-es-2170334765
title: Multiscale characterization of white matter microstructural geometry and organization to improve diffusion MRI modelling

description: Early diagnosis and noninvasive monitoring of neurological disorders require sensitivity to cellular-level alterations in brain tissue. Among millimeter-resolution medical imaging modalities, diffusion MRI (dMRI) stands out due to its unique sensitivity to tissue microgeometry, orders of magnitude below its nominal resolution. To uncover the signature of tissue microstructure in dMRI, we analytically identify key degrees of freedom from tissue geometry that survive massive averaging over millimeter-sized voxels. Identifying such parameters requires accessing tissue microgeometry in its realistic state, instrumental in deriving and validating theoretical models. In this project, we plan to use X-ray holographic nanotomography for 3D imaging of millimeter-sized white matter tissue from rat brains at sub-100 nm resolution. We will study tissue morphology and organizational properties via machine learning-based image analysis and investigate their links to in-vivo and ex-vivo dMRI signals.
DOI: 10.15151/esrf-es-2177204542
title: Residual Strain measurements in recrystallized metals

description: we will look at 3D strain and orietnation distributions of recrystallized metals to reveal the dislocaitons tructure relevant for processing and service of materials.
DOI: 10.14457/nida.the.2010.111
title: An efficient authenticated group key agreement on tree-based braid groups in mobile AD HOC networks
DOI: 10.14457/nida.the.2003.431
title: A test for more than two poisson population means
DOI: 10.15468/dl.rqj6rp
title: Occurrence Download

description: A dataset containing 4 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Cynodon dactylon",
 "Country is Niue",
 "HasCoordinate is true"
 ]
}

 The dataset includes 4 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026491-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.14457/nida.the.2001.432
title: A study of controlled sampling with varying probabilities without replacement
DOI: 10.15151/esrf-es-2170274739
title: Operando µSAXS/WAXS study of the evolution of PEMFC membrane and electrodes structures during AST: effect of humidity and temperature

description: PEMFC's critical components, electrodes, and membranes, face efficiency-hindering degradation challenges. Despite extensive studies, mechanisms remain unclear, especially under varying local conditions. This proposal aims to analyze membrane, anode, and cathode structures during accelerated stress testing (AST) using microfocus SAXS/WAXS at diverse temperatures and humidity. A newly designed cell ensures experiments up to 95°C for a good signal-to-noise ratio. The plan is to measure the semi-crystalline structure evolution in the membrane and ionomer, along with platinum nanoparticles size distribution in electrodes during AST. No published studies simultaneously analyze membrane and electrode structural evolution concerning performance in relation to temperature and humidity, particularly above 80°C for heavy-duty applications. By requesting beamtime on the ID13 beamline, we aim to gain insights into the PEMFC components' structural evolution impacting performance and durability.
DOI: 10.14457/nida.the.1990.17
title: Rural-urban migration trend and employment status : a case study in Bangkok Metropolis
DOI: 10.7910/dvn/gekivc
title: UT-MoDaPark Dataset

description: Parkinson dataset
DOI: 10.14457/nida.the.2006.293
title: Gender differences in natural crisis impacts and their implications for problem allevations : a case study of flooding in lower central Thailand
DOI: 10.14457/nida.the.2006.294
title: Double and resampling in adaptive cluster sampling
DOI: 10.15151/esrf-es-2103198975
title: In situ XRD and real-time HERFD investigate of Cobalt-based FTS catalyst under simulated industrial condition (60 bar with CO)

description: For green and sustainable development of energy, Fischer-Tropsch synthesis (FTS) which can covert CO and H2 into liquid hydrocarbons and other high-valuable chemical products, becoming more and more important. Cobalt-based catalysts are commonly used because of their favourable activity, selectivity, and stability during FTS. Attention to the cobalt particles sintering, their crystallographic structure, chemical coordination environment, and the impact of promoter material are very important. In this proposal, we propose to study FTS of Co-based NPs using XRD and HERFD exposed to 60 Bar Ar/H2/CO gas mixture in flow conditions and with controlled injection of water steam. According to our knowledge, an operando study of Co-based catalysts at this condition was never performed.
DOI: 10.14457/nida.the.2007.157
title: Quality of life of the youth in the Northeast of Thailand : a case study of three provinces : Buri Ram, Surin, Si Sa Ket
DOI: 10.15151/esrf-es-2170236377
title: Sorption of lanthanides assisted by swelling transitions in Brodie graphite oxide: XRD study.

description: The project suggests to study BGO immersed in solutions of various salts with different size of ions in methanol and acetonitrile. At ambient temperature BGO immersed in acetonitrile or methanol is intercalated by single layer of solvent while at lower temperature two-layer solvent intercalation occurs Therefore, if pure solvents are replaced with solutions, some ions which are too large for insertion into interlayers at ambient temperature are expected to penetrate and sorb inside of interlayers at low temperature. In this case, the swelling transition is expected to be either partly reversible or irreversible due to sorption of ions from solution at low temperature. The size of the solvent-filled interlayers can be evaluated using XRD. The effect of ion size and concentration on swelling transitions will be studied. In case of success, new method to separate precious lanthanide elements using selective sorption inside of BGO inter-layers will be demonstrated.
DOI: 10.15151/esrf-es-2170240149
title: Efficiency and lifetime of electron transfer in tin perovskite / zinc oxide heterostructures investigated by time-resolved diffraction anoma

description: Hybrid tin halide perovskites (HTHPs) are a promising alternative to lead-based perovskites. We will employ time-resolved diffraction anomalous fine structure (DAFS) at the Zn K-edge to monitor the efficiency of electron transfer and the electron lifetime in ZnO/HTHP heterostructures from the electron acceptor side (ZnO), which are key factors in improving perovskite solar cells and supporting the global shift to renewable energy.
DOI: 10.15151/esrf-es-2170240634
title: Application for Renewal of Shock-BAG beam time at ESRF

description: This proposal concerns renewal of the Shock block allocation group (BAG). As a reminder, the purpose of the Shock BAG is to coordinate and promote access to high-resolution X-ray imaging to further study of materials under rapid and extreme loading. The BAG pools together shared equipment, personnel and expertise to underpin and enhance the science at the intersection of X-rays and dynamically-compressed matter. Thus far, the BAG has successfully operated 4 run periods, focusing on the already established single-stage gas-gun, compression Hopkinson bar, and pulsed laser. These first campaigns enabled the research of over 15 independent teams, thereby sharing the overhead in setting-up and tearing-down, and helping ensure good quality data was obtained. This renewal seeks to extend the Shock BAG to enable support of emergent techniques identified in the original proposal, such as pulsed power- and explosive-drive, which share similar challenges and diagnostic needs.
DOI: 10.14457/nida.the.1993.46
title: Training and training needs of women workers : a critical review
DOI: 10.15151/esrf-es-2170241324
title: Correlation of nematic fluctuations and superconductivity with the interlayer separation in high-Tc LiPyH5FeSe

description: In the iron-based superconductors (FeSCs), the emergence of the electronically-driven nematic state is argued to be a precursor of superconductivity (SC). We propose to reveal signatures of such correlation-driven electronic instability in the lattice dynamics of FeSCs derived by co-intercalating alkali and molecule species (guests) in the interlayer space of the β-FeSe layered host. These intercalates demonstrate a remarkable linear scaling of the critical temperature (Tc) with the Fe-square plane separation (d). As the Fe atoms play an active role in the growth of Tc (cf., from 8 to 45 K), 57-Fe nuclear (resonance) inelastic scattering (NIS) spectroscopy is sought to deliver the Fe-partial phonon density of states (pDOS) across Tc. Uncovering the renormalization of excitations due of the coupling of electronic to lattice degrees of freedom, will add knowledge on interactions required to delineate high-Tc SC in Fe-based phases.
DOI: 10.15151/esrf-es-2170244600
title: HERFD study of the step preceding the O2 formation in spinach Photosystem II

description: Photosystem II of natural photosynthesis utilises sunlight to drive the four-electron oxidation of water to dioxygen at the Mn4CaO5 cluster. The Mn4CaO5 cycles through five oxidation states Si (i = 0–4). The S3 state (MnIV4) is the last semi-stable step prior to the O2 formation. Upon illumination of the S3 state, dioxygen is formed. EPR experiments revealed two S3 forms in spinach. DFT suggested that the two S3 forms differ in one water ligand leading to two different O2 formation mechanisms. Moreover, DFT predicted distinct pre-edge for the two S3 forms. We propose high-energy resolution fluorescence detected X-ray absorption (HERFD XAS) measurements at the Mn K-edge of the two S3 forms to acquire well-resolved pre-edge spectra and correlate them with DFT models. The geometric and electronic structure of the plant S3 will be revealed, and the question raised by DFT of whether two different O2 formation mechanisms can take place depending on the S3 structure will be answered.
DOI: 10.14457/nida.the.1987.4
title: A multilevel analysis of determinants of infant mortality in rural Northeastern Thailand
DOI: 10.15151/esrf-es-2170247581
title: PUMA - PUlsed high MAgnetic fields for new functional magnetic materials

description: In the BMBF-funded project ‘PUMA - PUlsed high MAgnetic fields for new functional magnetic materials’ we aim at the identification of new magnetic materials for green-energy applications using a combined experimental and theoretical approach. We will study materials needed for the emerging field of magnetic cooling and permanent magnets, e.g., for efficient energy conversion in electric drives and turbines. To achieve this goal, a new experimental setup shall be implemented at the beamline ID32 of the ESRF. This setup will enable measurements of macroscopic as well as microscopic properties at high pulsed magnetic fields of up to 50 T. We will combine XAS and XMCD investigations with advanced electronic-structure calculation methods. We target a comprehensive insight into the electronic, magnetic, and spectroscopic properties of the materials which allow us to detect trends and further optimization.
DOI: 10.15151/esrf-es-2170279797
title: Applying XAS to uncover electron-deficiency multicenter bonding in SnxChy chalcogenides (Ch = 0, S, Se, Te) subjected to high pressure

description: Electron-deficiency multicenter bonding (EDMB) has been proposed as an incipient, novel chemical bond behind the outstanding properties of promising materials as phase change materials, thermoelectrics, photovoltaic materials and topological insulators. High pressure (HP) can easily induced such EDMB in systems with stereochemically active lone electron pairs (SCALEPs). As we have evidenced for the mixed-valence Sn2S3, XAS has been proved to be an essential technique to unveil these EDMBs, in addition to single-crystal XRD and Raman spectroscopy under HP. This project aims to demonstrate how XAS can be used the emergence of these bonds in other Sn-based chalcogenides. Then, we propose to collect Sn K-edge XAS measurements on SnTe (without SCALEPs), SnSe and Sn3O4 (both with SCALEPs) under HP, up to 50 GPa, to undoubtedly propose the XAS technique as alternative tool to follow the emergence of EDMBs
DOI: 10.14457/nida.the.1991.18
title: Patterns and determinants of health service utilization in rural Thailand : a case study of Nakorn Sawan
DOI: 10.14457/nida.the.2004.375
title: The study of human settlement patterns : a case study : Samut Songkhram
DOI: 10.15151/esrf-es-2212961916
title: IHR

description: IHR
DOI: 10.15151/esrf-es-2217283230
title: In-situ investigation of MOF decomposition

description: Ce-MOF will be exposed to heating (300 degrees Celsius) under different gases (CO2, H2, O2) to study their thermal decomposition
DOI: 10.14457/nida.the.2006.295
title: Emotional intelligence of Thai labor force
DOI: 10.14457/nida.the.2005.385
title: Factors influencing migration of rural labour in the Northeastern Region of Thailand
DOI: 10.14457/nida.the.1990.18
title: Education management for the generation of self-employment of graduates
DOI: 10.14457/nida.the.2006.296
title: Two Robust estimators of the population total for sample surveys
DOI: 10.14457/nida.the.2008.180
title: Juvenile violent crimes : antecedents, outcomes and remedial measures
DOI: 10.14457/nida.the.2002.392
title: The disabled workers' problem rehabilitation service needs and outcomes
DOI: 10.15468/dl.9uep3r
title: Occurrence Download

description: A dataset containing 514 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Kielmeyera speciosa"
 ]
}

 The dataset includes 514 records from 77 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026492-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.3sup92
title: Occurrence Download

description: A dataset containing 228 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Melanoides tuberculata",
 "Country is Colombia",
 "HasCoordinate is true"
 ]
}

 The dataset includes 228 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026495-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zwgezx
title: Occurrence Download

description: A dataset containing 4 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Melanoides tuberculata",
 "Country is Cuba",
 "HasCoordinate is true"
 ]
}

 The dataset includes 4 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026496-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4eybk9
title: Occurrence Download

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

 The dataset includes 2 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026494-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.svngtf
title: Occurrence Download

description: A dataset containing 97 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Callistachys lanceolata",
 "Country is New Zealand",
 "HasCoordinate is true"
 ]
}

 The dataset includes 97 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026497-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.hsbsqj
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Tinca tinca",
 "Country is Algeria",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026499-250717081556266/datasets/export for details.
DOI: 10.15468/dl.pewe5h
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Tinca tinca",
 "Country is Albania",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026498-250717081556266/datasets/export for details.
DOI: 10.15468/dl.9nycdf
title: Occurrence Download

description: A dataset containing 378 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Bupleurum sibiricum"
 ]
}

 The dataset includes 378 records from 38 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026500-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.c4fykx
title: Occurrence Download

description: A dataset containing 16 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Mimulopsis alpina",
 "HasCoordinate is true",
 "Geometry POLYGON ((-17.66889 -35.11691, 51.34702 -35.11691, 51.34702 37.62, -17.66889 37.62, -17.66889 -35.11691))"
 ]
}

 The dataset includes 16 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026501-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.w3xs8q
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Cynodon dactylon",
 "Country is Palau",
 "HasCoordinate is true"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026502-250717081556266/datasets/export for details.
DOI: 10.15468/dl.nw4wen
title: Occurrence Download

description: A dataset containing 589 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Madagascar",
 "OccurrenceStatus is Present",
 "TaxonKey is Anopheles"
 ]
}

 The dataset includes 589 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026503-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.34877/sasd-2024001
title: Social survey of Ukrainian migrants in Slovakia 2024
title: Spoločenská sonda ukrajinských migrantov a migrantiek na Slovensku 2024
DOI: 10.15468/dl.dbb5w6
title: Occurrence Download

description: A dataset containing 283141 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "TaxonKey is Pulsatilla"
 ]
}

 The dataset includes 283141 records from 1008 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026405-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cx3qpz
title: Occurrence Download

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

 The dataset includes 3 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0026509-250717081556266/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.