cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15151/esrf-es-1312810643
title: Impact of ferrihydrite transformation on incorporated zinc in field conditions

description: Ferrihydrite (noted Fh), a poorly crystalline iron oxyhydroxide, is a naturally-abundant efficient scavenger of trace metals. Here, we investigate the fate of zinc (Zn) incorporated in the Fh structure during the Fe(II)-induced transformation of Fh in the field and in laboratory incubations. We will determine the Zn speciation in transformation products of Fh-Zn by bulk and micro-focused Extended X-Ray Absorption Fine Structure (EXAFS) at the Zn K-edge, in order to evaluate the impact of mineral transformation on the mobility of this trace metal, in conditions approaching the complexity of natural surface environments.
DOI: 10.15151/esrf-es-1312815088
title: Fathoming sequestration and enrichment of rare-earth elements in marine deposits

description: Rare earth elements (REE) are essential to modern life, yet we know little about how they concentrate at Earth’s surface, especially on the seafloor, which holds vast reserves. The underlying mechanistic pathways leading to some of the highest elemental enrichments in supergene ores is a long-standing geochemical and crystallochemical enigma. To advance the field, we propose to determine how light (LREE = Ce-Nd), medium (MREE = Gd-Dy), and heavy (HREE = Er-Yb) REE are incorporated in apatite-rich sediments at the atomic scale. The structural results will inform atomistic calculations that will be employed to model the thermodynamics and kinetics of the chemical reactions at the seawater-apatite interface. The Long Term Proposal is supported by an ERC Advanced Grant awarded to the ESRF and the Ecole Normale Supérieure of Lyon.
DOI: 10.15151/esrf-es-1312816576
title: High-order van Hove singularity in the magnon excitations of SrCuO2

description: The van Hove singularity (VHS) is an important ingredient in the rich physics of two-dimensional electronic systems. Recently, high-order VHS has been reported in electronic twisted bilayer graphene and kagome metals, but the link between higher-order divergent DOS and electronic instabilities has not been established yet. Our recent medium resolution RIXS study shows that the magnon excitation of SrCuO2 displays characteristic resembling a high-order VHS. Our analysis further reveals enhanced quantum fluctuations that possibly result from the stronger singularity. However, the limit of energy resolution and the accessible range of reciprocal space preclude an unambiguous conclusion. Here, we propose to clarify the nature of the magnon VHS in SrCuO2 by exploring its out-of-plane dispersions using ultrahigh-resolution Cu L-edge RIXS. The realization of high-order magnon VHS will provide a new perspective in understanding the magnetism of cuprate superconductors.
DOI: 10.15151/esrf-es-1312118706
title: Elucidating fundamental steps of the CO-NO reaction and understanding catalyst deactivation by operando HERFD-XANES measurements

description: Noble metal-based catalysts are widely applied throughout the chemical industry or for clean air purposes in emission control. Identifying the active species and understanding its formation and deactivation is key for designing active and long-term stable catalysts. In recent studies by our group transient Pt states of Pt/CeO2 catalysts were identified during CO oxidation by operando HERFD-XANES measurements combined with MCR-ALS and DFT calculations. As a next step, we would like to apply this powerful approach to study a Pt/Al2O3 catalyst. The reaction mechanism is not completely understood and even though Pt is very active, it also suffers from fast deactivation, especially at lower temperatures. Based on well-defined catalysts containing Pt17 cluster, we aim for fundamental mechanistic details in the reaction and the deactivation behaviour. By a systematic variation of the gas atmospheres and temperatures we want to track the Pt species and understand the cause of deactivation.
DOI: 10.6084/m9.figshare.24287446
title: Supplementary Material for: Preoperative H. pylori eradication therapy facilitates precise delineation in early gastric cancer with current H. pylori infection

description: [Introduction] Early gastric cancer with current Helicobacter pylori infection (HpC-EGC) is common but still unclear whether H. pylori eradication therapy (Hp-ET) or endoscopic submucosal dissection (ESD) should be performed first. We evaluated Hp-ET’s short-term effects on horizontal boundary delineations of HpC-EGC in ESD. [Methods] Prospectively enrolled HpC-EGC patients were randomly assigned to eradication or control groups. Operation scopes of HpC-EGC lesion were delineated with marking dots at 5 mm out of the endoscopic demarcation line by an independent endoscopist, unaware of eradication status, before formal circumferential incision. As representatives, precise delineation rate, the shortest distance of all marking dots to the pathological demarcation line in all slices of one intact resected specimen (Dmin), and negative marking dot specimen rate were examined. [Results] 23 HpC-EGC patients (25 lesions) were allocated to eradication group and 26 patients (27 lesions) were allocated to control group with similar eradication success rates and all were differentiated type. With improving background mucosa inflammation after Hp-ET and similar gastritis-like epithelium rates, 10 lesions (40.0%) in eradication group were of precise delineation compared to control group with 2 lesions (7.4%) (RR = 5.40, 95% CI 1.31-22.28). Dmin of eradication and control groups were 4.17 ± 2.52 mm and 2.67 ± 2.30 mm (p = 0.029), accompanied by 4 (14.8%) and none (0.0%) specimens that exhibited positive marking dots (p = 0.11), respectively. [Conclusion] For HpC-EGC patients, administrating eradication medication before ESD is beneficial for the precise delineation of lesions and reducing the risk of positive horizontal resection margins.
DOI: 10.6084/m9.figshare.24287446.v1
title: Supplementary Material for: Preoperative H. pylori eradication therapy facilitates precise delineation in early gastric cancer with current H. pylori infection

description: [Introduction] Early gastric cancer with current Helicobacter pylori infection (HpC-EGC) is common but still unclear whether H. pylori eradication therapy (Hp-ET) or endoscopic submucosal dissection (ESD) should be performed first. We evaluated Hp-ET’s short-term effects on horizontal boundary delineations of HpC-EGC in ESD. [Methods] Prospectively enrolled HpC-EGC patients were randomly assigned to eradication or control groups. Operation scopes of HpC-EGC lesion were delineated with marking dots at 5 mm out of the endoscopic demarcation line by an independent endoscopist, unaware of eradication status, before formal circumferential incision. As representatives, precise delineation rate, the shortest distance of all marking dots to the pathological demarcation line in all slices of one intact resected specimen (Dmin), and negative marking dot specimen rate were examined. [Results] 23 HpC-EGC patients (25 lesions) were allocated to eradication group and 26 patients (27 lesions) were allocated to control group with similar eradication success rates and all were differentiated type. With improving background mucosa inflammation after Hp-ET and similar gastritis-like epithelium rates, 10 lesions (40.0%) in eradication group were of precise delineation compared to control group with 2 lesions (7.4%) (RR = 5.40, 95% CI 1.31-22.28). Dmin of eradication and control groups were 4.17 ± 2.52 mm and 2.67 ± 2.30 mm (p = 0.029), accompanied by 4 (14.8%) and none (0.0%) specimens that exhibited positive marking dots (p = 0.11), respectively. [Conclusion] For HpC-EGC patients, administrating eradication medication before ESD is beneficial for the precise delineation of lesions and reducing the risk of positive horizontal resection margins.
DOI: 10.25919/21qh-m346
title: Achieving least cost GHG abatement opportunities in Australian grain farms - case study simulation outputs

description: This collection consists of annual values for gross margins, changes in sequestered carbon and soil-based emissions of nitrous oxide simulated for eight case study farms (described in publications included in Related Links). The farms were located across the three agroecological regions of Australia’s grains belt and had diverse soils, climate, crops and management practices. The farmers’ usual management was described together with a range of management practice scenarios that might reduce the net global warming potential (GWP) of soil-based emissions from (1) increasing sequestered carbon and/or (2) reducing N2O emissions. The scenarios included altering the timing and amount of N fertiliser applied, burning or retaining crop residues, using manure, increasing the cropping intensity (i.e., average number of crops per year using short term cover crops), and combinations of these practices. Gross margins were calculated annually from yields using crop price and direct costs of production applicable to each farm. The net GWP and gross margins of scenarios was compared to a high emissions scenario consisting of usual practice with burnt residues imposed. The scenarios were simulated for a 100-year period and repeated with ten start dates.
DOI: 10.6084/m9.figshare.24287461
title: Supplementary Material for: Correlation of Neuroendocrine Differentiation with A Distinctively Suppressive Immune Microenvironment in Gastric Cancer

description: Introduction Neuroendocrine neoplasms (NENs) harbored significantly suppressive tumor immune microenvironments (TIMEs). However, the immunological effects of neuroendocrine differentiation (NED) on non-NE neoplasms, such as gastric cancer (GC), were unknown. Methods Between pure gastric cancer (PGC) and GC-NED, TIME features were scored based on expression data and validated on serial whole-tissue sections of surgical samples, with tertiary lymphoid structures (TLSs) and the extra-TLS zone evaluated independently using multi-marker immunohistochemical staining. Risk analyses of TIME features on tumor behaviors were performed in GC-NED. The universal immunological effects of NED were explored preliminarily in adenocarcinomas arising in other organs. Results Based on over 11,500 annotated TLSs and 2,700 extra-TLS zones, compared with PGC, GC-NED harbored a distinctively more suppressive TIME characterized by increased but immature TLSs, with higher naïve B cell and follicular regulatory T cell densities and downregulated TLS maturation-related cell ratios inside TLSs; increased naïve B cell and regulatory T cell densities and a high proportion of exhausted T cells in the extra-TLS zone. The upregulated tumor PD-L1 expression and its close correlations with TLS formation and maturation were remarkable exclusively in GC-NED. TIME features, especially those regarding TLSs, were significantly correlated with tumor growth and invasion. The desynchrony between TLS formation and maturation and increased naïve or regulatory immune cell infiltration was observed in adenocarcinomas of the colorectum, pancreas, lung, and prostate. Conclusion NED highlighted a distinct GC entity with more suppressive TIME features correlated with tumor behaviors, indicating a cohort that would benefit more from immunotherapies.
DOI: 10.6084/m9.figshare.24287461.v1
title: Supplementary Material for: Correlation of Neuroendocrine Differentiation with A Distinctively Suppressive Immune Microenvironment in Gastric Cancer

description: Introduction Neuroendocrine neoplasms (NENs) harbored significantly suppressive tumor immune microenvironments (TIMEs). However, the immunological effects of neuroendocrine differentiation (NED) on non-NE neoplasms, such as gastric cancer (GC), were unknown. Methods Between pure gastric cancer (PGC) and GC-NED, TIME features were scored based on expression data and validated on serial whole-tissue sections of surgical samples, with tertiary lymphoid structures (TLSs) and the extra-TLS zone evaluated independently using multi-marker immunohistochemical staining. Risk analyses of TIME features on tumor behaviors were performed in GC-NED. The universal immunological effects of NED were explored preliminarily in adenocarcinomas arising in other organs. Results Based on over 11,500 annotated TLSs and 2,700 extra-TLS zones, compared with PGC, GC-NED harbored a distinctively more suppressive TIME characterized by increased but immature TLSs, with higher naïve B cell and follicular regulatory T cell densities and downregulated TLS maturation-related cell ratios inside TLSs; increased naïve B cell and regulatory T cell densities and a high proportion of exhausted T cells in the extra-TLS zone. The upregulated tumor PD-L1 expression and its close correlations with TLS formation and maturation were remarkable exclusively in GC-NED. TIME features, especially those regarding TLSs, were significantly correlated with tumor growth and invasion. The desynchrony between TLS formation and maturation and increased naïve or regulatory immune cell infiltration was observed in adenocarcinomas of the colorectum, pancreas, lung, and prostate. Conclusion NED highlighted a distinct GC entity with more suppressive TIME features correlated with tumor behaviors, indicating a cohort that would benefit more from immunotherapies.
DOI: 10.4121/5440fa35-b481-489f-8600-3b6c2d1be655
title: TUD R Cafe Plot-a-thon: A Visual Summary

description: A visual summary of the contents of the 4TU Research Data Repository, in 4 plots.
DOI: 10.4121/5440fa35-b481-489f-8600-3b6c2d1be655.v1
title: TUD R Cafe Plot-a-thon: A Visual Summary

description: A visual summary of the contents of the 4TU Research Data Repository, in 4 plots.
DOI: 10.6084/m9.figshare.9582530.v1
title: Application of marble powder as a potential green adsorbent for miniaturized solid phase extraction of polycyclic aromatic hydrocarbons from water samples

description: In this study, marble powder was evaluated as a cheap, easy to prepare and efficient green sorbent for miniaturized solid phase extraction of polycyclic aromatic hydrocarbons (PAHs) and determination by high performance liquid chromatography with UV detection. Under the optimized experimental conditions, wide linear dynamic ranges were achieved in the range of 0.1–200 μg L<sup>−1</sup>, with correlation coefficient higher than 0.996. The limits of detection and quantification for target analytes could reach 16.3–120.2 and 54.3–398 ng L<sup>−1</sup>, respectively. The method precision based on obtained RSD values in the range of 4.9–7.9% (n = 8) was very satisfactory.
DOI: 10.6084/m9.figshare.9582530
title: Application of marble powder as a potential green adsorbent for miniaturized solid phase extraction of polycyclic aromatic hydrocarbons from water samples

description: In this study, marble powder was evaluated as a cheap, easy to prepare and efficient green sorbent for miniaturized solid phase extraction of polycyclic aromatic hydrocarbons (PAHs) and determination by high performance liquid chromatography with UV detection. Under the optimized experimental conditions, wide linear dynamic ranges were achieved in the range of 0.1–200 μg L<sup>−1</sup>, with correlation coefficient higher than 0.996. The limits of detection and quantification for target analytes could reach 16.3–120.2 and 54.3–398 ng L<sup>−1</sup>, respectively. The method precision based on obtained RSD values in the range of 4.9–7.9% (n = 8) was very satisfactory.
DOI: 10.6084/m9.figshare.20252625
title: Carbon quantum dots composite (CQDC)

description: In this study, the carbon quantum dots composite (CQDC) was made from algal-cyanobacterial precursors using the oilothermal method. The performance of CQDC evaluated in a model based on cadmium.
DOI: 10.5281/zenodo.8338560
title: Data for the publication "In Situ Observation of Room-Temperature Magnesium Metal Deposition on a NASICON/IL Hybrid Solid Electrolyte"

description: Datasets are obtained from X-ray diffraction (XRD), Rietveld analysis, Scanning electron microscopy (SEM), Electrochemicla impedance spectroscopy (EIS), Nudged Elastic Band (NEB), Chronopotentiometry (CP), Linear sweep voltammetry (LSV), X-ray photoelectron spectroscopy (XPS), Energy-dispersive X-ray spectroscopy (EDS). <strong>Abstract:</strong> Secondary batteries using multivalent cations as ionic charge carriers have attracted increasing attention in recent years due to the high theoretical energy density provided by multi-electron redox reactions. However, the high charge density of these cations inevitably leads to sluggish kinetics of ion migration at room temperature, which poses a challenge for the development of solid-state batteries using multivalent ions. Here, we prepared a magnesium ion conducting hybrid solid electrolyte (HSE) consisting of a new NASICON-structured material, Mg0.5Sn2(PO4)3, and a small amount of Mg ionic liquid. The HSE shows superior room-temperature ionic conductivity of 1.11 · 10−4 S cm−1 and an activation energy of 0.36 eV. Due to good compatibility of the HSE with the magnesium metal anode, symmetric MgǀHSE|Mg cells show stable Mg plating and stripping behavior at room temperature. Using in situ electrochemical scanning electron microscopy measurements the room temperature growth-induced fracture of the HSE was observed, giving unequivocal evidence for magnesium deposition. These results may serve as starting point for understanding the magnesium deposition mechanism on solid electrolyte in solid-state batteries.
DOI: 10.5281/zenodo.8338559
title: Data for the publication "In Situ Observation of Room-Temperature Magnesium Metal Deposition on a NASICON/IL Hybrid Solid Electrolyte"

description: Datasets are obtained from X-ray diffraction (XRD), Rietveld analysis, Scanning electron microscopy (SEM), Electrochemicla impedance spectroscopy (EIS), Nudged Elastic Band (NEB), Chronopotentiometry (CP), Linear sweep voltammetry (LSV), X-ray photoelectron spectroscopy (XPS), Energy-dispersive X-ray spectroscopy (EDS). <strong>Abstract:</strong> Secondary batteries using multivalent cations as ionic charge carriers have attracted increasing attention in recent years due to the high theoretical energy density provided by multi-electron redox reactions. However, the high charge density of these cations inevitably leads to sluggish kinetics of ion migration at room temperature, which poses a challenge for the development of solid-state batteries using multivalent ions. Here, we prepared a magnesium ion conducting hybrid solid electrolyte (HSE) consisting of a new NASICON-structured material, Mg0.5Sn2(PO4)3, and a small amount of Mg ionic liquid. The HSE shows superior room-temperature ionic conductivity of 1.11 · 10−4 S cm−1 and an activation energy of 0.36 eV. Due to good compatibility of the HSE with the magnesium metal anode, symmetric MgǀHSE|Mg cells show stable Mg plating and stripping behavior at room temperature. Using in situ electrochemical scanning electron microscopy measurements the room temperature growth-induced fracture of the HSE was observed, giving unequivocal evidence for magnesium deposition. These results may serve as starting point for understanding the magnesium deposition mechanism on solid electrolyte in solid-state batteries.
DOI: 10.5519/qd.9jevkyx6
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1 records)
DOI: 10.5519/qd.lc0iq6zi
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1 records)
DOI: 10.6084/m9.figshare.24269191.v1
title: A curated dataset of sentences expressing unresolved clinical questions

description: A curated dataset of sentences expressing unresolved clinical questions
DOI: 10.15151/esrf-es-1336731641
title: Phase distribution in multielement perovskite oxides for energy conversion

description: High-entropy oxides (HEOs) are multiprincipal-element compounds of exhibiting high configurational entropy, which governs their phase stabilization. The presence of many different cations in one crystal structure may lead to unique electrochemical properties. This project aims to determine the subtle structural and electronic features of a group of high-entropy perovskite materials that exhibit ionic conductivity and in particular – proton conductivity. The result will not only help in understanding the influence of high entropy on crystal and electronic structure but also set a direction in tailoring more efficient compositions for application in proton-conducting cells.
DOI: 10.5281/zenodo.7067665
title: Raw diffraction images of apo-trypsin

description: Trypsin is an enzyme in the first section of the small intestine that starts the degestion of protein molecules by cutting these long chains of amino acids into smaller pieces. We used datasets to investigate the protocol of detecting polymorphs using Hierarchical clustering (Acta D., submitted). All diffraction data were collected at BL32XU, SPring-8, using an automated data collection system <em>ZOO</em>. Data were acquired from four crystals for apo-form, 4-Methoxybenzamidine(benzamidine)-bound, and 5-Chlorotryptamine(tryptamine)-bound trypsin crystals, respectively. All datasets were collected using a continuous helical scan scheme for 360º oscillation with the following experimental parameters; Beam size: 10 µm × 15 µm, Wavelength: 1.0000 Å, Total dose/crystal: 10 MGy, Detector: EIGER X 9M (DECTRIS Co. Ltd.). All crystals belonged to the space group P212121 with the unit cell parameters roughly corresponding to a=54.5, b=58.4, 66.8 Å.
DOI: 10.5281/zenodo.7068055
title: Raw diffraction images of 4-Methoxybenzamidine-bound trypsin

description: Trypsin is an enzyme in the first section of the small intestine that starts the digestion of protein molecules by cutting these long chains of amino acids into smaller pieces. We used datasets to investigate the protocol of detecting polymorphs using Hierarchical clustering (Acta D., submitted). All diffraction data were collected at BL32XU, SPring-8, using an automated data collection system <em>ZOO</em>. Data were acquired from four crystals of 4-Methoxybenzamidine -bound trypsin. All datasets were collected using a continuous helical scan scheme for 360º oscillation with the following experimental parameters; Beam size: 10 µm × 15 µm, Wavelength: 1.0000 Å, Total dose/crystal: 10 MGy, Detector: EIGER X 9M (DECTRIS Co. Ltd.). All crystals belonged to space group P212121 with unit cell parameters roughly corresponding to a=54.6, b=58.6, c=66.7 Å.
DOI: 10.5281/zenodo.7068054
title: Raw diffraction images of 4-Methoxybenzamidine-bound trypsin

description: Trypsin is an enzyme in the first section of the small intestine that starts the digestion of protein molecules by cutting these long chains of amino acids into smaller pieces. We used datasets to investigate the protocol of detecting polymorphs using Hierarchical clustering (Acta D., submitted). All diffraction data were collected at BL32XU, SPring-8, using an automated data collection system <em>ZOO</em>. Data were acquired from four crystals of 4-Methoxybenzamidine -bound trypsin. All datasets were collected using a continuous helical scan scheme for 360º oscillation with the following experimental parameters; Beam size: 10 µm × 15 µm, Wavelength: 1.0000 Å, Total dose/crystal: 10 MGy, Detector: EIGER X 9M (DECTRIS Co. Ltd.). All crystals belonged to space group P212121 with unit cell parameters roughly corresponding to a=54.6, b=58.6, c=66.7 Å.