cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/4j8tw9wnwb
title: A matched case-control study on Escherichia coli factors contributing to sepsis and septic shock in bacteraemic patients

description: One third of patients with Escherichia coli bacteraemia develop a dysregulated inflammatory response (sepsis/septic shock). In order to investigate whether specific microbiological determinants of E. coli are associated to presentation with sepsis/shock a matched case-control study was performed and 101 case-patients with E. coli bacteraemia presenting with sepsis (SEPSIS-3 criteria) and 101 control-patients with E. coli bacteraemia without sepsis were matched by service, sex, age, Charlson index, acquisition and source of the bacteraemia and empirical treatment. Whole genome sequencing of E. coli isolates was performed (Illumina MiSeq Inc.). Sequence type, serotype, fimH type, virulence factors, antibiotic resistance genes, plasmid replicons pathogenicity islands and prophages were determined. Quality analysis of genome assemblies, genome annotation and pan-genome analysis were performed in QUAST v5.2.0, Bakta v1.6.1 and Roary v3.13.0, respectively. Phylogenomic tree reconstruction based on the best-scoring maximum-likelihood (ML) inference tree for a DNA alignment was performed in RAxML v8.2.12 and best-scoring ML inference tree with branch lengths corrected to account for recombination events in ClonalFrameML v1.12. Other bioinformatics analyses including Principal Coordinate Analysis (PCoA), clustering based on PCoA, Boruta algorithm and Random Forest Models were performed in R v4.3.1 using the following core packages: tidyverse (2.0.0), caret (6.0-94), Boruta (8.0.0), ranger (0.17.0), vegan (2.6-4), and pROC (1.18.5).
DOI: 10.17632/4j8tw9wnwb.1
title: A matched case-control study on Escherichia coli factors contributing to sepsis and septic shock in bacteraemic patients

description: One third of patients with Escherichia coli bacteraemia develop a dysregulated inflammatory response (sepsis/septic shock). In order to investigate whether specific microbiological determinants of E. coli are associated to presentation with sepsis/shock a matched case-control study was performed and 101 case-patients with E. coli bacteraemia presenting with sepsis (SEPSIS-3 criteria) and 101 control-patients with E. coli bacteraemia without sepsis were matched by service, sex, age, Charlson index, acquisition and source of the bacteraemia and empirical treatment. Whole genome sequencing of E. coli isolates was performed (Illumina MiSeq Inc.). Sequence type, serotype, fimH type, virulence factors, antibiotic resistance genes, plasmid replicons pathogenicity islands and prophages were determined. Quality analysis of genome assemblies, genome annotation and pan-genome analysis were performed in QUAST v5.2.0, Bakta v1.6.1 and Roary v3.13.0, respectively. Phylogenomic tree reconstruction based on the best-scoring maximum-likelihood (ML) inference tree for a DNA alignment was performed in RAxML v8.2.12 and best-scoring ML inference tree with branch lengths corrected to account for recombination events in ClonalFrameML v1.12. Other bioinformatics analyses including Principal Coordinate Analysis (PCoA), clustering based on PCoA, Boruta algorithm and Random Forest Models were performed in R v4.3.1 using the following core packages: tidyverse (2.0.0), caret (6.0-94), Boruta (8.0.0), ranger (0.17.0), vegan (2.6-4), and pROC (1.18.5).
DOI: 10.48657/zybe-wf90
title: Photos
DOI: 10.5281/zenodo.17092273
title: Data, code and 3D models for: Stone Tool Shaping Without Direct Cultural Transmission (Ferar et al.)

description: This repository contains the data, code, and 3D models associated with the manuscript “Stone Tool Shaping Without Direct Cultural Transmission.”

The archive includes:



3D models (PLY files) of handaxe target and coded pieces from the Handaxe Study.

R script and supporting data files (NTS and CSV) required to reproduce the geometric morphometric analyses and figures for the Arbitrary Shape Study.

Excel workbook used to generate deterministic summary tables of classification outcomes in the Arbitrary Shape Study.


Together, these materials enable full reproduction of the analyses and results reported in the manuscript.
DOI: 10.5281/zenodo.17914237
title: Data, code and 3D models for: Stone Tool Shaping Without Direct Cultural Transmission (Ferar et al.)

description: This repository contains the data, code, and 3D models associated with the manuscript “Stone Tool Shaping Without Direct Cultural Transmission.”

The archive includes:



3D models (PLY files) of handaxe target and coded pieces from the Handaxe Study.

R script and supporting data files (NTS and CSV) required to reproduce the geometric morphometric analyses and figures for the Arbitrary Shape Study.

Excel workbook used to generate deterministic summary tables of classification outcomes in the Arbitrary Shape Study.


Together, these materials enable full reproduction of the analyses and results reported in the manuscript.
DOI: 10.17632/vbn8x2n69b
title: Self−supported Ni3S2 nanoarrays as multi−functional catalysts for efficient alkaline water and seawater electrolysis

description: This study synthesised a nickel sulphide nanoarray structure electrocatalyst with nickel foam as the metallic substrate. Research data indicates that the enhanced catalytic activity primarily stems from its unique nano-array morphology, which exposes a larger electrochemically active specific surface area and provides abundant active sites. Crucially, a strong coupling exists between the nickel foam substrate and the Ni₃S₂ nano-array catalyst. The robust Ni−S chemical bonds formed during hydrothermal preparation significantly enhance catalytic activity, electronic conductivity, and structural stability.
DOI: 10.17632/vbn8x2n69b.1
title: Self−supported Ni3S2 nanoarrays as multi−functional catalysts for efficient alkaline water and seawater electrolysis

description: This study synthesised a nickel sulphide nanoarray structure electrocatalyst with nickel foam as the metallic substrate. Research data indicates that the enhanced catalytic activity primarily stems from its unique nano-array morphology, which exposes a larger electrochemically active specific surface area and provides abundant active sites. Crucially, a strong coupling exists between the nickel foam substrate and the Ni₃S₂ nano-array catalyst. The robust Ni−S chemical bonds formed during hydrothermal preparation significantly enhance catalytic activity, electronic conductivity, and structural stability.
DOI: 10.17632/h3zsc378g2
title: SEMPO - Retrieving complex poles, residues and zeros from arbitrary real spectral responses

description: The Singularity Expansion Method Parameter Optimizer - SEMPO - is a toolbox to extract the complex poles, zeros and residues of an arbitrary response function acquired along the real frequency axis. SEMPO allows to determine this full set of complex parameters of linear physical systems from their spectral responses only, without prior information about the system. The method leverages on the Singularity Expansion Method of the physical signal. This analytical expansion of the meromorphic function in the complex frequency plane motivates the use of an accuracy-driven improved version of the Cauchy method constrained by properties of physical systems, as well as an auto-differentiation-based optimization approach. Both approaches can be sequentially associated to provide highly accurate reconstructions of physical signals in large spectral windows. The performances of SEMPO are assessed and analysed in several configurations that include the dielectric permittivity of materials and the optical response spectra of various optical metasurfaces. SEMPO’s performances are thoroughly analyzed and benchmarked with other state-of-the-art methods to highlight its capability to retrieve the natural poles of a physical system.
DOI: 10.17632/h3zsc378g2.1
title: SEMPO - Retrieving complex poles, residues and zeros from arbitrary real spectral responses

description: The Singularity Expansion Method Parameter Optimizer - SEMPO - is a toolbox to extract the complex poles, zeros and residues of an arbitrary response function acquired along the real frequency axis. SEMPO allows to determine this full set of complex parameters of linear physical systems from their spectral responses only, without prior information about the system. The method leverages on the Singularity Expansion Method of the physical signal. This analytical expansion of the meromorphic function in the complex frequency plane motivates the use of an accuracy-driven improved version of the Cauchy method constrained by properties of physical systems, as well as an auto-differentiation-based optimization approach. Both approaches can be sequentially associated to provide highly accurate reconstructions of physical signals in large spectral windows. The performances of SEMPO are assessed and analysed in several configurations that include the dielectric permittivity of materials and the optical response spectra of various optical metasurfaces. SEMPO’s performances are thoroughly analyzed and benchmarked with other state-of-the-art methods to highlight its capability to retrieve the natural poles of a physical system.
DOI: 10.17632/hz5rnw3x56
title: Green or Growth? Unveiling the Eco-environmental Consequence of Cross-border E-commerce Pilots in China (replication files）

description: This replication package provides all the publicly available data, code, andinstructions required to reproduce the main empirical results of the above-mentionedresearch paper. The package is designed to facilitate transparency and enableindependent verification of all statistical findings reported in the study.
DOI: 10.17632/hz5rnw3x56.4
title: Green or Growth? Unveiling the Eco-environmental Consequence of Cross-border E-commerce Pilots in China (replication files）

description: This replication package provides all the publicly available data, code, andinstructions required to reproduce the main empirical results of the above-mentionedresearch paper. The package is designed to facilitate transparency and enableindependent verification of all statistical findings reported in the study.
DOI: 10.17632/bvxs6mx2pc
title: IR-SNSeg raw data

description: A total of 847 infrared images were manually annotated with polygon masks using the LabelMe tool to form our training and validation sets. 
The dataset was split into 70% training (593 images), 15% validation (127 images), and 15% testing (127 images).
DOI: 10.17632/bvxs6mx2pc.1
title: IR-SNSeg raw data

description: A total of 847 infrared images were manually annotated with polygon masks using the LabelMe tool to form our training and validation sets. 
The dataset was split into 70% training (593 images), 15% validation (127 images), and 15% testing (127 images).
DOI: 10.17632/w4rhd7hcdh
title: Durability of desulfurized gypsum-gold tailings-fly ash-based concrete

description: To address the urgent demand for low-carbon durable concrete in saline-alkali environments, this study prepared alkali-activated concrete using desulfurization gypsum (DG), gold tailings (GT), and fly ash (FA) as primary cementitious materials, with recycled aggregates as aggregates. Microstructural analyses including isothermal conductive calorimetry (ICC), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), and simultaneous thermal analysis (TG-DSC-DTG), alongside macro-performance tests, were employed to investigate the hydration mechanism, mechanical properties, and salt corrosion durability of the system under triple action from endogenous and exogenous sulfates and alkali activation. Results indicate that a 10% DG dosage combined with NaOH-Na₂SiO₃ composite activation yields optimal performance. After 90 days of immersion in 5% Na₂SO₄ solution and 5% Na₂SO₄+NaCl mixed solution, the concrete exhibited strength decay rates of only 26.0% and 29.1%, respectively, with corrosion resistance coefficients maintained above 63.3%. Both endogenous and exogenous sulfates influence material performance through synergistic and competitive effects. Appropriate endogenous sulfates can pre-form ettringite and C-(A)-S-H gel, thereby inhibiting exogenous salt corrosion. This study provides scientific basis for the material design and application of low-carbon, durable, all-solid-waste concrete in saline-alkali land engineering.
DOI: 10.17632/w4rhd7hcdh.1
title: Durability of desulfurized gypsum-gold tailings-fly ash-based concrete

description: To address the urgent demand for low-carbon durable concrete in saline-alkali environments, this study prepared alkali-activated concrete using desulfurization gypsum (DG), gold tailings (GT), and fly ash (FA) as primary cementitious materials, with recycled aggregates as aggregates. Microstructural analyses including isothermal conductive calorimetry (ICC), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR), and simultaneous thermal analysis (TG-DSC-DTG), alongside macro-performance tests, were employed to investigate the hydration mechanism, mechanical properties, and salt corrosion durability of the system under triple action from endogenous and exogenous sulfates and alkali activation. Results indicate that a 10% DG dosage combined with NaOH-Na₂SiO₃ composite activation yields optimal performance. After 90 days of immersion in 5% Na₂SO₄ solution and 5% Na₂SO₄+NaCl mixed solution, the concrete exhibited strength decay rates of only 26.0% and 29.1%, respectively, with corrosion resistance coefficients maintained above 63.3%. Both endogenous and exogenous sulfates influence material performance through synergistic and competitive effects. Appropriate endogenous sulfates can pre-form ettringite and C-(A)-S-H gel, thereby inhibiting exogenous salt corrosion. This study provides scientific basis for the material design and application of low-carbon, durable, all-solid-waste concrete in saline-alkali land engineering.
DOI: 10.17632/v6vxh8pmh3
title: SimOS: A Python framework for simulations of optically addressable spins

description: We present an open-source simulation framework for optically detected magnetic resonance, developed in Python. The framework is designed to simulate multipartite quantum systems composed of spins and electronic levels, enabling the study of systems such as nitrogen-vacancy centers in diamond and photo-generated spin-correlated radical pairs. Our library provides system-specific sub-modules for these and related problems. It supports efficient time-evolution in Lindblad form, along with tools for simulating spatial and generalized stochastic dynamics. Symbolic operator construction and propagation are also supported for simple model systems, making the framework well-suited for classroom instruction in magnetic resonance. Designed to be backend-agnostic, the library interfaces with existing Python packages as computational backends. We introduce the core functionality and illustrate the syntax through a series of representative examples.
DOI: 10.17632/v6vxh8pmh3.1
title: SimOS: A Python framework for simulations of optically addressable spins

description: We present an open-source simulation framework for optically detected magnetic resonance, developed in Python. The framework is designed to simulate multipartite quantum systems composed of spins and electronic levels, enabling the study of systems such as nitrogen-vacancy centers in diamond and photo-generated spin-correlated radical pairs. Our library provides system-specific sub-modules for these and related problems. It supports efficient time-evolution in Lindblad form, along with tools for simulating spatial and generalized stochastic dynamics. Symbolic operator construction and propagation are also supported for simple model systems, making the framework well-suited for classroom instruction in magnetic resonance. Designed to be backend-agnostic, the library interfaces with existing Python packages as computational backends. We introduce the core functionality and illustrate the syntax through a series of representative examples.
DOI: 10.17632/t94hg8ywwt
title: Data for: The Role of Forgetting Cues in Working Memory Directed Forgetting

description: Data 1 shows the behavioral results (the search reaction times and hit rates in the visual search task) in this study.
Data 2 shows the ERPs for three cue conditions during the 240–360 ms time window.
DOI: 10.17632/t94hg8ywwt.1
title: Data for: The Role of Forgetting Cues in Working Memory Directed Forgetting

description: Data 1 shows the behavioral results (the search reaction times and hit rates in the visual search task) in this study.
Data 2 shows the ERPs for three cue conditions during the 240–360 ms time window.
DOI: 10.15468/dl.kuhsv3
title: Occurrence Download

description: A dataset containing 7426 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON ((152.569238 -32.455218, 152.530050 -32.418018, 152.482260 -32.418018, 152.521435 -32.455218, 152.569238 -32.455218))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 2015",
 "Year is less than or equal to 2025"
 ]
}

 The dataset includes 7426 records from 22 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0049703-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.17632/yxn22rws4w
title: SpectraMatcher: A python program for interactive analysis and peak assignment of vibronic spectra

description: SpectraMatcher is a cross-platform desktop application for interactive comparison of experimental and computed vibronic spectra, designed to assist in the recognition and assignment of spectral patterns. It provides an intuitive graphical interface — with no coding or scripting required — for importing experimental spectra, visualizing them alongside the corresponding theoretical spectra constructed from Gaussian frequency calculations, and adjusting key parameters such as peak width, intensity scaling factors, and vibration-type-specific anharmonic corrections. SpectraMatcher features an automated peak-matching algorithm that assigns experimental and computed peaks based on their intensity ratio and proximity. Assignments and spectra can be exported in multiple formats for publication or for further analysis. The software remains responsive even for large datasets, and supports efficient and reproducible interpretation of vibronic spectra.
DOI: 10.17632/yxn22rws4w.1
title: SpectraMatcher: A python program for interactive analysis and peak assignment of vibronic spectra

description: SpectraMatcher is a cross-platform desktop application for interactive comparison of experimental and computed vibronic spectra, designed to assist in the recognition and assignment of spectral patterns. It provides an intuitive graphical interface — with no coding or scripting required — for importing experimental spectra, visualizing them alongside the corresponding theoretical spectra constructed from Gaussian frequency calculations, and adjusting key parameters such as peak width, intensity scaling factors, and vibration-type-specific anharmonic corrections. SpectraMatcher features an automated peak-matching algorithm that assigns experimental and computed peaks based on their intensity ratio and proximity. Assignments and spectra can be exported in multiple formats for publication or for further analysis. The software remains responsive even for large datasets, and supports efficient and reproducible interpretation of vibronic spectra.
DOI: 10.17632/yf3bpx9k5b
title: FukuiGrid: A Python code for c-DFT in solid-state chemistry

description: FukuiGrid is a Python-based code that calculates Fukui functions and Fukui potentials in systems with periodic boundary conditions, making it a valuable tool for solid-state chemistry. It focuses on chemical reactivity descriptors from Conceptual Density-Functional Theory (c-DFT) and enables the calculation of Fukui functions through methods such as finite differences and interpolation. FukuiGrid addresses the challenges associated with periodic boundary conditions when calculating the electrostatic potential of a Fukui function (known as the Fukui potential) by integrating various corrections to alleviate the compensating background of charge. These corrections include the electrode approach and self-consistent potential correction as post-processing techniques. This package is compatible with VASP outputs and specifically designed to study the reactivity of surfaces and adsorbates. It generates surface reactivity maps and provides insights into adsorption site preferences, as well as regions prone to electron donation or withdrawal. FukuiGrid has been designed to make c-DFT easier for the surface chemistry community.
DOI: 10.17632/yf3bpx9k5b.1
title: FukuiGrid: A Python code for c-DFT in solid-state chemistry

description: FukuiGrid is a Python-based code that calculates Fukui functions and Fukui potentials in systems with periodic boundary conditions, making it a valuable tool for solid-state chemistry. It focuses on chemical reactivity descriptors from Conceptual Density-Functional Theory (c-DFT) and enables the calculation of Fukui functions through methods such as finite differences and interpolation. FukuiGrid addresses the challenges associated with periodic boundary conditions when calculating the electrostatic potential of a Fukui function (known as the Fukui potential) by integrating various corrections to alleviate the compensating background of charge. These corrections include the electrode approach and self-consistent potential correction as post-processing techniques. This package is compatible with VASP outputs and specifically designed to study the reactivity of surfaces and adsorbates. It generates surface reactivity maps and provides insights into adsorption site preferences, as well as regions prone to electron donation or withdrawal. FukuiGrid has been designed to make c-DFT easier for the surface chemistry community.
DOI: 10.48657/1eqm-cm37
title: Retranscriptions d'entretiens
title: Interview transcripts
DOI: 10.15468/dl.xn6v5f
title: Occurrence Download

description: A dataset containing 82 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry MULTIPOLYGON(((-90.54843 7.19737,-77.65186 7.19737,-77.65186 14.32581,-90.54843 14.32581,-90.54843 7.19737)))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Hymenolobium mesoamericanum"
 ]
}

 The dataset includes 82 records from 14 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0049705-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.17632/ntkzv6dxy3
title: Dynamical Symmetries

description: Improved version in English of the IMAR preprint ISSN 0250 3638, 
including complementary material to the articles: Physica A387, 6497 (2008); 
Physica A519, 313 (2019); Physica A583, 126278 (2021).
DOI: 10.17632/ntkzv6dxy3.1
title: Dynamical Symmetries

description: Improved version in English of the IMAR preprint ISSN 0250 3638, 
including complementary material to the articles: Physica A387, 6497 (2008); 
Physica A519, 313 (2019); Physica A583, 126278 (2021).