cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15151/esrf-es-1343996281
title: Operando investigations on CuFe-based catalysts for higher alcohol synthesis

description: In this project, by combining X-ray absorption spectroscopy (XAS), X-ray powder diffraction (XRD), and pair distribution function (PDF) measurements, we aim to probe the dynamic electronic, structural, and morphological evolution of the active and carrier phases in CuFe-based catalytic systems used for higher alcohol synthesis from syngas. The unique capabilities of SNBL-BM31 allow all catalyst components to be simultaneously monitored under various gaseous environments, complementing our prior ex situ investigations to elucidate and understand the transient surface and bulk features required for the design of effective higher alcohol synthesis catalytic systems.
DOI: 10.15151/esrf-es-1345033002
title: XAS operando characterization of Cu and Ni catalysts supported on silica in the CO2 hydrogenation reaction

description: We will use XAS operando technique, for the characterization of catalysts containing Ni and/or Cu in the CO2 hydrogenation reaction at 300 °C and 50 bar
DOI: 10.15151/esrf-es-1345034016
title: Pure Magnetic Bragg Ptychography imaging of the spin texture in the complex oxide antiferromagnet Sr2IrO4

description: Magnetic Bragg ptychography can surpass established SAXS geometry magnetic Coherent Diffraction Imaging methods (holography, ptycho-tomography) in the additional possibility to reveal local crystalline strain and also extend to antiferromagnetic materials. As opposed to SAXS geometry, which provides no contrast to antiferromagnetic domains textures, Bragg geometry provides this sensitivity from the pure and separate (from structural) antiferromagnetic Bragg peaks. Therefore, for the development of magnetic Bragg ptychography high flux hard X-rays are essential. This proposal is only feasible due to the ESRF EBS, together with the 10K cryostat and coherent X-ray nanobeam implemented on ID01. This experiment will perform magnetic Bragg ptychography using a pure magnetic scattering Bragg reflection. This will greatly aid the development of our adapted inversion algorithms, to include the vectorial nature of the magnetic scattering cross-section.
DOI: 10.15151/esrf-es-1345034253
title: Rapid and spatially resolved XRD measurements of fast charging cracked and patterned lithium-ion battery electrodes via multi-channel collim

description: Patterned electrodes in lithium-ion batteries show potential to combine fast charging and high energy density. Two methods for patterning electrodes are via laser machining, which can damage the electrode and adds a costly step to manufacturing, or by inducing crack formation during electrode drying. In this experiment we will use a multi-channel collimator (MCC) to do spatially resolved, operando XRD measurements to study the (de)lithiation rate and degradation in thick LiNi0.6Mn0.2Co0.2O2 (NMC622) lithium-ion battery cathodes with fast charging features patterned into the surface This will directly show for the first time how effective patterned features are at facilitating (de)lithiation of nearby material, which is vital for designing optimally patterned fast charging, energy dense lithium-ion batteries.
DOI: 10.15151/esrf-es-1345034448
title: Visualization of dynamic polaronic strain fields in shape-tuned nanocrystalline CsPbBr3 perovskites

description: Lead halide perovskites (LHPs) have shown superior performance in various electro-optic applications, such as light-emitting diodes, and photovoltaic cells, which depend on the interconversion of photons and mobile charge carriers. The charge carrier becomes thus dressed by a local lattice deformation, forming a polaron quasiparticle. Because of the weak-to-intermediate electron-phonon interaction in LHPs, large polarons develop, with the lattice distortion spanning over multiple lattice constants, i.e., a few nanometres. Our target is to identify the crystallographic phase, coordination chemistry, local octahedral tilting, disorder, etc. on illuminated CsPbBr3 nanocrystals with synthetically tuned morphologies of cubes, hexagon and polygons. For the development of the relation between particle shape and corresponding polaron, we have to performed temperature dependent wide angle x-ray scattering with and without applying femtosecond pulsed laser.
DOI: 10.15151/esrf-es-1345034866
title: Experimental tests of geobarometers and oxybarometers for volatile-bearing model peridotites at Earth’s upper mantle conditions

description: Reconstructing redox conditions within the Earth’s mantle is an essential step in understanding large-scale material and volatile cycles between the Earth's outer envelopes and its deep interior. The study is designed to test the reliability and accuracy of previous geobarometers and oxybarometers for a suite of model volatile-bearing peridotitic rocks at Earth’s upper mantle conditions up to the transition zone. The mantle rocks will be synthesized by the large volume press combined by in-situ XRD at ID06. The oxidation state of Fe in the mineral and melt phases of the synthesized samples will be then determined by latest breakthroughs of the synchrotron Moessbauer spectroscopy at ID18. The establishment of an internally-consistent cross calibration of previous oxybarometers will allow improvements in fundamental models used to predict the depth and redox conditions of natural peridotitic upper mantle lithologies, including peridotitic mineral inclusions in diamonds.
DOI: 10.15151/esrf-es-1345034995
title: In situ diffraction studies of cobalt Fischer–Tropsch catalyst activation

description: This proposal aims to study the activation of bimetallic cobalt-based nanoparticles using in situ wide-angle X-ray scattering (WAXS) to monitor the evolution of bimetallic cobalt-base NPs during the reduction in the H2/water vapor atmosphere and investigate the impact of Re and Pt content on the process dynamics and crystallographic structure of the formed phases. Furthermore, the evolution of the FT catalysts during such a crucial process as activation will be monitored.
DOI: 10.15151/esrf-es-1345036054
title: X-ray Raman scattering, X-ray emission and optical spectroscopy of matter at extreme conditions: Structure of melts and molecular compounds

description: This long term project aims for the implementation of a power-stabilized CO2 laser heating setup coupled to diamond anvil cell technique and optical Raman spectroscopy at the X-ray Raman spectrometer of beamline ID20 of ESRF. This instrumentation will enable unique in-situ studies of low-Z element compounds at extreme conditions, extracting information of local and long-range structure as well as electronic properties of disordered matter. We aim to explore silicate glasses and melts in order to reveal the structure and electronic state of relevant magmas. Second, we will investigate the chemistry of the light compounds H2O, CO2 and NH3 at extreme conditions which is highly relevant for the dynamics and formation of giant-gas and most exoplanets. The setup will significantly extend the capabilities of beamline ID20 and cross not only new frontiers in geoscientific applications but addresses likewise a broad user-base in diverse areas such as chemistry, physics and materials science.
DOI: 10.15151/esrf-es-1345037200
title: Operando x-ray spectroscopy investigation of hydrogen reaction mechanism on novel core-shell electrocatalysts

description: In this project, we use x-ray absorption spectroscopy study on operando electrocatalysis in alkaline media with a novel core-shell nanoparticulate system Pd@CeOx as catalyst, supported on single-walled carbon nanotubes (SWNT). The catalyst material has been developed in-house, and shows highly promising activity for hydrogen evolution and oxidation reactions. XANES and EXAFS results of the Ce and Pd will enable further rational design of the catalyst.
DOI: 10.15151/esrf-es-1345040491
title: Exploring the spin wave and the flat band of Co3Sn2S2 by RIXS

description: A recent inelastic neutron scattering study on Co3Sn2S2 reported low-energy spin waves up to 40 meV and a resonant inelastic X-ray scattering (RIXS) study with linear polarized incident X-rays reported correlation driven near-flat band Stoner excitations. However, our RIXS measurements at the ADRESS/SLS employing a magnetic circular dichroism (MCD) analysis suggests that the “near-flat band” is quite dispersive and its intensity reduces upon approaching Tc. Applying a magnetic field of 0.1 T to fully polarize the spin will allow extracting the dynamic magnetism with circular polarized X-ray. However, due to limited energy resolution, we were unable to clearly resolve the spin waves from the asymmetric elastic peak. We therefore propose here to study Co3Sn2S2 by high-resolution MCD RIXS at ID32 to resolve the spin wave excitations, including the acoustic and optical mode, in which the latter is more likely to form the “true” flat band due to the kagome lattice structure.
DOI: 10.15151/esrf-es-1402883657
title: Arabinoxylan and CNC (cellulose nano cristal) hydrogels

description: SAXS and WAXS measurements will be performed at room temperature on the hydrogels and on the corresponding solutions.
DOI: 10.5281/zenodo.10158373
title: Multi-decadal Coastal Acidification in the northern Gulf of Mexico

description: This dataset contains: 1) summertime bottom-water pH in the northern Gulf of Mexico  reconstructed from 30+ years (1986-2019) of hydrographic and biogeochemical data. 2) the projected shelf-averaged summertime bottom-water pH under the influences of climate effects and eutrophication (1970-2100).
DOI: 10.6084/m9.figshare.24590679
title: <b>Recent decline in tropical temperature sensitivity of atmospheric CO</b><sub><strong>2</strong></sub><b> growth rate variability</b>

description: A two-fold enhancement in the sensitivity of atmospheric CO2 growth rate to tropical temperature interannual variability (Gamma^T_CGR) till early 2000s has been reported, which suggests a drought-induced shift in terrestrial carbon cycle responding temperature fluctuations, thereby accelerating global warming. However, using six decades long atmospheric CO2 observations, we show that Gamma^T_CGR has significantly declined in the last two decades, to the level during the 1960s. The Gamma^T_CGR decline begs the question of whether the sensitivity of ecosystem carbon cycle to temperature variations at local scale has largely decreased. With state-of-the-art dynamic global vegetation models, we further find that the recent Gamma^T_CGR decline is barely attributed to ecosystem carbon cycle response to temperature fluctuations at local scale, which instead results from a decrease of spatial coherence in tropical temperature variability and land use change. Our results suggest that the recently reported loss of rainforest resilience has not shown marked influence on the temperature sensitivity of ecosystem carbon cycle. Nevertheless, the increasing extent of land use change as well as more frequent and intensive drought events are likely to modulate the responses of ecosystem carbon cycle to temperature variations in the future. Therefore, our study highlights the priority to continuously monitor the temperature sensitivity of atmospheric CO2 growth rate variability and improve Earth system model representation on land use change, in order to predict the carbon-climate feedback.
DOI: 10.5281/zenodo.10158374
title: Multi-decadal Coastal Acidification in the northern Gulf of Mexico

description: This dataset contains: 1) summertime bottom-water pH in the northern Gulf of Mexico  reconstructed from 30+ years (1986-2019) of hydrographic and biogeochemical data. 2) the projected shelf-averaged summertime bottom-water pH under the influences of climate effects and eutrophication (1970-2100).
DOI: 10.6084/m9.figshare.23667471
title: Monarch Butterflies memorize the spatial location of a food source

description: Raw data from the manuscript 'Monarch Butterflies memorize the spatial location of a food source'Proceedings of the Royal Society B: Biological Sciences doi:10.1098/rspb.2023.1574
DOI: 10.6084/m9.figshare.23667471.v1
title: Monarch Butterflies memorize the spatial location of a food source

description: Raw data from the manuscript 'Monarch Butterflies memorize the spatial location of a food source'Proceedings of the Royal Society B: Biological Sciences doi:10.1098/rspb.2023.1574
DOI: 10.5281/zenodo.10158387
title: Supplementary Data for "Synchronous asteroid breakup paused the Great Ordovician Biodiversification Event"

description: Supplementary Data includes a detailed comparison of the YW2 borehole with the well-studied Puxi River section, the U-Pb isotopic data of the bentonite, and coupled carbon isotope data of the YW2 borehole.
DOI: 10.5281/zenodo.8409066
title: Supplementary Data for "Synchronous asteroid breakup paused the Great Ordovician Biodiversification Event"

description: Supplementary Data includes a detailed comparison of the YW2 borehole with the well-studied Puxi River section, the U-Pb isotopic data of the bentonite, and coupled carbon isotope data of the YW2 borehole.
DOI: 10.5281/zenodo.8409067
title: Supplementary Data for "Synchronous asteroid breakup paused the Great Ordovician Biodiversification Event"

description: Supplementary Data includes a detailed comparison of the YW2 borehole with the well-studied Puxi River section, and the U-Pb isotopic data of the bentonite.
DOI: 10.5281/zenodo.10085329
title: Результати обчислень індикатора сталого розвитку регіонів України за 2013-2021 рр. Супровідні матеріали до наукового дослідження в рамках виконання науково-дослідної роботи Сумського державного університету «Реструктуризація національної економіки в напрямі цифрових трансформацій для сталого розвитку» (№0122U001232)

description: Набір даних містить результати обчислень показників сталого розвитку регіонів України за 2013-2021 рр. (на основі авторського методичного підходу щодо оцінки субнаціонального індексу людського розвитку, SHDI, доповненого оцінками екологічної складової). Наведено часткові показники та інтегральні оцінки.
Запис та попередня обробка даних здійснені з використанням програмного середовища Microsoft Excel ver16.77.1.
Набір даних підготовлено в рамках виконання науково-дослідної роботи Сумського державного університету «Реструктуризація національної економіки в напрямі цифрових трансформацій для сталого розвитку» (№0122U001232).
Дата створення: 12 серпня 2023 р.
DOI: 10.5281/zenodo.10085330
title: Результати обчислень індикатора сталого розвитку регіонів України за 2013-2021 рр. Супровідні матеріали до наукового дослідження в рамках виконання науково-дослідної роботи Сумського державного університету «Реструктуризація національної економіки в напрямі цифрових трансформацій для сталого розвитку» (№0122U001232)

description: Набір даних містить результати обчислень показників сталого розвитку регіонів України за 2013-2021 рр. (на основі авторського методичного підходу щодо оцінки субнаціонального індексу людського розвитку, SHDI, доповненого оцінками екологічної складової). Наведено часткові показники та інтегральні оцінки.
Запис та попередня обробка даних здійснені з використанням програмного середовища Microsoft Excel ver16.77.1.
Набір даних підготовлено в рамках виконання науково-дослідної роботи Сумського державного університету «Реструктуризація національної економіки в напрямі цифрових трансформацій для сталого розвитку» (№0122U001232).
Дата створення: 12 серпня 2023 р.
DOI: 10.6084/m9.figshare.24590688
title: Genome-Wide Comparative Profiles of Triterpenoid Biosynthesis Genes in Ginseng and Pseudo ginseng Medicinal Plants

description: Saponin-rich medicinal plants, particularly ginseng and <i>Pseudo-ginseng</i>, are valuable in traditional medical practice due to the presence of different saponins. These plants benefit from natural saponins/triterpenoids drugs, such as Ginsenosides, Gypenosides, Platycodins, and Lancemasides. Ginsenosides are highly required for research and functional materials preparation in industrial practices, and some compounds, like Compound-K, have been taken to human trials for various therapeutic applications. To elucidate the genes/transcripts profiles responsible for secondary metabolites and ginsenoside biosynthesis in Ginseng and <i>Pseudo-ginseng</i> plant genomes, a comparative analysis was conducted in this study. Nine plant genomes with a 99% BUSCO completeness score were used, resulting in 49 KEGG secondary metabolite pathways, 571 cytochromes genes with 42 families, and 3529 carbohydrate genes with 103 superfamilies. The comparative analysis revealed 24 genes/transcripts belonging to the CYP716 family, which is involved in the ginsenoside biosynthesis pathway. Additionally, it found that various ginsenosides demonstrated strong binding affinity with twelve targets, with ginsenoside Rg3, Rg2, Rh1, Rh5, F3, Rh9, Panaxadione, Protopanaxatriol, Floral ginsenoside C, and Floral ginsenoside E exhibiting the highest binding affinities with the tested enzymes. Since these groups of enzymes are not yet fully characterized for <i>Pseudo-ginseng</i> plants in the interconversion of triterpenoids, this comparative bioinformatics analysis could aid experimentalists in selecting and conducting characterization with practical knowledge.We have corrected the writing of this species in the full text, please check and confirm.
DOI: 10.6084/m9.figshare.24590688.v1
title: Genome-Wide Comparative Profiles of Triterpenoid Biosynthesis Genes in Ginseng and Pseudo ginseng Medicinal Plants

description: Saponin-rich medicinal plants, particularly ginseng and <i>Pseudo-ginseng</i>, are valuable in traditional medical practice due to the presence of different saponins. These plants benefit from natural saponins/triterpenoids drugs, such as Ginsenosides, Gypenosides, Platycodins, and Lancemasides. Ginsenosides are highly required for research and functional materials preparation in industrial practices, and some compounds, like Compound-K, have been taken to human trials for various therapeutic applications. To elucidate the genes/transcripts profiles responsible for secondary metabolites and ginsenoside biosynthesis in Ginseng and <i>Pseudo-ginseng</i> plant genomes, a comparative analysis was conducted in this study. Nine plant genomes with a 99% BUSCO completeness score were used, resulting in 49 KEGG secondary metabolite pathways, 571 cytochromes genes with 42 families, and 3529 carbohydrate genes with 103 superfamilies. The comparative analysis revealed 24 genes/transcripts belonging to the CYP716 family, which is involved in the ginsenoside biosynthesis pathway. Additionally, it found that various ginsenosides demonstrated strong binding affinity with twelve targets, with ginsenoside Rg3, Rg2, Rh1, Rh5, F3, Rh9, Panaxadione, Protopanaxatriol, Floral ginsenoside C, and Floral ginsenoside E exhibiting the highest binding affinities with the tested enzymes. Since these groups of enzymes are not yet fully characterized for <i>Pseudo-ginseng</i> plants in the interconversion of triterpenoids, this comparative bioinformatics analysis could aid experimentalists in selecting and conducting characterization with practical knowledge.We have corrected the writing of this species in the full text, please check and confirm.
DOI: 10.4121/4ad76f10-98b5-45f1-ae2a-6282aca69e00
title: Data analysis programs on chemical and rheological properties of bitumen

description: The research objective of this thesis is multiscale evaluate the rejuvenation efficiency and mechanisms of rejuvenators in aged bitumen for high aged bitumen recycling. The data collection is mainly from experiments and molecular dynamics simulations. These files contain the data analysis programs on chemical and rheological properties of bitumen. In this dataset, the programs for linear viscoelastic master curve establishment, complex modulus area calculation, cracking width determination during time sweep fatigue test, Glover-Rowe damage parameter analysis are available. At the same time, the micromechanical models programming is involved, including the Burgers, Generalized Maxwell, Huet, Kelvin, and Maxwell. In addition, the guidelines for FTIR and GPC data analysis of bitumen are also provided here.
DOI: 10.4121/4ad76f10-98b5-45f1-ae2a-6282aca69e00.v1
title: Data analysis programs on chemical and rheological properties of bitumen

description: The research objective of this thesis is multiscale evaluate the rejuvenation efficiency and mechanisms of rejuvenators in aged bitumen for high aged bitumen recycling. The data collection is mainly from experiments and molecular dynamics simulations. These files contain the data analysis programs on chemical and rheological properties of bitumen. In this dataset, the programs for linear viscoelastic master curve establishment, complex modulus area calculation, cracking width determination during time sweep fatigue test, Glover-Rowe damage parameter analysis are available. At the same time, the micromechanical models programming is involved, including the Burgers, Generalized Maxwell, Huet, Kelvin, and Maxwell. In addition, the guidelines for FTIR and GPC data analysis of bitumen are also provided here.
DOI: 10.4121/2fea8e3d-c0e6-4ea4-9d04-d3408cdf167d
title: Code, data and plots underlying the doctoral thesis:"Design of urban vertical-axis wind turbines: balancing performance and noise"

description: This comprehensive dataset contains all the data and plots presented in the Doctoral Thesis, organised into separate folders corresponding to each thesis chapter. This arrangement allows for easy access to specific sections of interest, facilitating focused research and analysis. Every data, graph, chart or plot presented within the thesis is included in its original form within this dataset. The dataset encompasses a wide variety of data types, including but not limited to:<strong>Numerical Data: </strong>Raw experimental data, measurements, and calculations.<strong>Visual Data:</strong> Graphs, charts, and plots illustrating key findings and trends.<strong>Textual Data:</strong> Descriptions, explanations, and interpretation of the data.To enhance usability, each folder contains supplementary documentation, including:<strong>README Files:</strong> These files provide chapter-specific overviews, explanations of data formats, and any relevant context required for understanding the data and plots.<strong>Citation information: </strong>Proper citation guidelines to acknowledge the original source when using the dataset for research or reference.
DOI: 10.4121/2fea8e3d-c0e6-4ea4-9d04-d3408cdf167d.v1
title: Code, data and plots underlying the doctoral thesis:"Design of urban vertical-axis wind turbines: balancing performance and noise"

description: This comprehensive dataset contains all the data and plots presented in the Doctoral Thesis, organised into separate folders corresponding to each thesis chapter. This arrangement allows for easy access to specific sections of interest, facilitating focused research and analysis. Every data, graph, chart or plot presented within the thesis is included in its original form within this dataset. The dataset encompasses a wide variety of data types, including but not limited to:<strong>Numerical Data: </strong>Raw experimental data, measurements, and calculations.<strong>Visual Data:</strong> Graphs, charts, and plots illustrating key findings and trends.<strong>Textual Data:</strong> Descriptions, explanations, and interpretation of the data.To enhance usability, each folder contains supplementary documentation, including:<strong>README Files:</strong> These files provide chapter-specific overviews, explanations of data formats, and any relevant context required for understanding the data and plots.<strong>Citation information: </strong>Proper citation guidelines to acknowledge the original source when using the dataset for research or reference.