cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6069/6j7y-t592
title: PeakDecoder enables machine learning-1 based metabolite annotation and accurate profiling in multidimensional mass spectrometry measurements

description: Multidimensional measurements using state-of-the-art separations and mass spectrometry provide great advantages in untargeted metabolomics analyses for studying biological and environmental bio-chemical processes. However, the lack of rapid analytical methods and robust algorithms for these heterogeneous data has limited its application. Here, we develop and evaluate a sensitive, high-throughput analytical and computational workflow to enable accurate metabolite profiling. Our workflow combines liquid chromatography, ion mobility spectrometry and data-independent acquisition mass spectrometry with PeakDecoder, a machine learning-based algorithm that learns to distinguish true co-elution and co-mobility from raw data and calculates metabolite identification error rates. We apply PeakDecoder for metabolite profiling of various engineered strains of Aspergillus pseudoterreus, Aspergillus niger, Pseudomonas putida and Rhodosporidium toruloides. Results, validated manually and against selected reaction monitoring and gas-chromatography platforms, show that 2683 features could be confidently annotated and quantified across 116 microbial sample runs using a library built from 64 standards.
DOI: 10.15151/esrf-es-1061637346
title: Low energy excitations in CeF3

description: Low energy excitations in CeF3
DOI: 10.6084/m9.figshare.22046663
title: Supplementary materials figshare.docx

description: The causal association between TSH levels and all-cause mortality.
DOI: 10.6084/m9.figshare.22046663.v1
title: Supplementary materials figshare.docx

description: The causal association between TSH levels and all-cause mortality.
DOI: 10.5519/qd.goo251ya
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (1189 records)
DOI: 10.6084/m9.figshare.22046690
title: Impact of BCG vaccination on the repertoire of human gamma/delta T cell receptors (ms data)

description: This data archive contains the raw data from a study of gamma/delta T cell repertoires from participants receiving Bacille-Calmette Guerin (BCG) vaccination. <br> Abstract (as submitted to Frontiers Immunology, 2022-NOV): Tuberculosis (TB) caused by Mycobacterium tuberculosis (Mtb) infection is a serious threat to human health. Vaccination with BCG prevents the development of the most severe forms of TB disease in infants and was recently shown to prevent Mtb infection in previously uninfected adolescents. gdT cells play a major role in host defense at mucosal sites and are known to respond robustly to mycobacterial infection. However, our understanding of the effects of BCG vaccination on gd T cell responses is incomplete. In this study we performed gd T cell receptor (TCR) repertoire sequencing of samples provided pre- and post-BCG vaccination from 10 individuals to identify specific receptors and TCR clones that are induced by BCG. Overall, there was no change in the diversity of gTCR or dTCR clonotypes in post- vs pre-BCG samples. Furthermore, the frequencies of TCR variable and joining region genes were minimally modulated by BCG vaccination at either the gTCR or dTCR loci. However, the gTCR and dTCR repertoires of individuals were highly dynamic; a median of ~1% of gTCR and ~6% of dTCR in the repertoire were found to significantly expand or contract in post- vs pre-BCG comparisons (FDR-q &lt; 0.05). While many of the clonotypes whose frequency changed after BCG were not shared among multiple individuals in the cohort, several shared (i.e., “public”) clonotypes were identified with a consistent increase or decrease in frequency across more than one individual; the degree of sharing of these clonotypes was significantly greater than the minimal sharing that would be expected among gTCR and dTCR repertoires. An in vitro analysis of Mtb antigen-reactive gdT cells identified clonotypes that were similar or identical to the single-chain gTCRs and dTCRs that changed consistently after BCG; pairings of gTCRs and dTCRs that increased after BCG were significantly over-represented among the Mtb-reactive gdT cells (p = 1.2e-6). These findings generate hypotheses about specific gdTCR clonotypes that may expand in response to BCG vaccination and may recognize Mtb antigens. Future studies are required to validate and characterize these clonotypes, with an aim to better understand the role of gdT cells in Mtb immunity. <br> Data was collected with consent of the participants as part of protocols approved by local IRBs (see manuscript for details)
DOI: 10.5281/zenodo.7615085
title: raw data of "Evidence of a double anaerobic threshold in healthy subjects" paper

description: <strong>Aims: </strong>The anaerobic threshold (AT) is an important cardiopulmonary exercise test (CPET) parameter both in healthy and in patients. It is normally determined with three approaches: V-slope method, ventilatory equivalent method, and end-tidal method. The finding of different AT values with these methods is only anecdotic. We defined the presence of a double threshold (DT) when a ΔVO2 &gt; 15 mL/min was observed between the V-slope method (met AT) and the other two methods (vent AT). The aim was to identify whether there is a DT in healthy subjects. <strong>Methods and results: </strong>We retrospectively analysed 476 healthy subjects who performed CPET in our laboratory between 2009 and 2018. We identified 51 subjects with a DT (11% of cases). Cardiopulmonary exercise test data at rest and during the exercise were not different in subjects with DT compared to those without. Met AT always preceded vent AT. Compared to subjects without DT, those with DT showed at met AT lower carbon dioxide output (VCO2), end-tidal carbon dioxide tension (PetCO2) and respiratory exchange ratio (RER), and higher ventilatory equivalent for carbon dioxide (VE/VCO2). Compared to met AT, vent AT showed a higher oxygen uptake (VO2), VCO2, ventilation, respiratory rate, RER, work rate, and PetCO2 but a lower VE/VCO2 and end-tidal oxygen tension. Finally, subjects with DT showed a higher VO2 increase during the isocapnic buffering period. <strong>Conclusion: </strong>Double threshold was present in healthy subjects. The presence of DT does not influence peak exercise performance, but it is associated with a delayed before acidosis-induced hyperventilation.
DOI: 10.5281/zenodo.7615084
title: raw data of "Evidence of a double anaerobic threshold in healthy subjects" paper

description: <strong>Aims: </strong>The anaerobic threshold (AT) is an important cardiopulmonary exercise test (CPET) parameter both in healthy and in patients. It is normally determined with three approaches: V-slope method, ventilatory equivalent method, and end-tidal method. The finding of different AT values with these methods is only anecdotic. We defined the presence of a double threshold (DT) when a ΔVO2 &gt; 15 mL/min was observed between the V-slope method (met AT) and the other two methods (vent AT). The aim was to identify whether there is a DT in healthy subjects. <strong>Methods and results: </strong>We retrospectively analysed 476 healthy subjects who performed CPET in our laboratory between 2009 and 2018. We identified 51 subjects with a DT (11% of cases). Cardiopulmonary exercise test data at rest and during the exercise were not different in subjects with DT compared to those without. Met AT always preceded vent AT. Compared to subjects without DT, those with DT showed at met AT lower carbon dioxide output (VCO2), end-tidal carbon dioxide tension (PetCO2) and respiratory exchange ratio (RER), and higher ventilatory equivalent for carbon dioxide (VE/VCO2). Compared to met AT, vent AT showed a higher oxygen uptake (VO2), VCO2, ventilation, respiratory rate, RER, work rate, and PetCO2 but a lower VE/VCO2 and end-tidal oxygen tension. Finally, subjects with DT showed a higher VO2 increase during the isocapnic buffering period. <strong>Conclusion: </strong>Double threshold was present in healthy subjects. The presence of DT does not influence peak exercise performance, but it is associated with a delayed before acidosis-induced hyperventilation.
DOI: 10.5281/zenodo.7616501
title: Occurrence data on N-nitrosamines provided to EFSA

description: The file contains the raw occurrence dataset on nitrosamines in food as extracted from EFSA DWH on 3 July 2021 and presented in the EFSA opinion on Risk assessment of N-nitrosamines in food available at https://doi.org/10.2903/j.efsa.2023.7884. The data is provided in csv format. This dataset is compliant with EFSA SSD2 data model and contains two additional columns documenting issues identified in the cleaning process (column: issue) and the action taken (column: action) to address the issue (e.g. delete record or update values in specific fields). The link to the catalogues of controlled terminologies for the updated textual description of fields values can be found under "Related identifiers”.
description: EU; CSV; feedco@efsa.europa.eu
DOI: 10.5281/zenodo.7616500
title: Occurrence data on N-nitrosamines provided to EFSA

description: The file contains the raw occurrence dataset on nitrosamines in food as extracted from EFSA DWH on 3 July 2021 and presented in the EFSA opinion on Risk assessment of N-nitrosamines in food available at https://doi.org/10.2903/j.efsa.2023.7884. The data is provided in csv format. This dataset is compliant with EFSA SSD2 data model and contains two additional columns documenting issues identified in the cleaning process (column: issue) and the action taken (column: action) to address the issue (e.g. delete record or update values in specific fields). The link to the catalogues of controlled terminologies for the updated textual description of fields values can be found under "Related identifiers”.
description: EU; CSV; feedco@efsa.europa.eu
DOI: 10.5281/zenodo.7613098
title: Dataset related to the article "Diagnostic performance of deep learning algorithm for analysis of computed tomography myocardial perfusion"

description: This record contains raw data related to the article “Diagnostic performance of deep learning algorithm for analysis of computed tomography myocardial perfusion" <strong>Purpose: </strong>To evaluate the diagnostic accuracy of a deep learning (DL) algorithm predicting hemodynamically significant coronary artery disease (CAD) by using a rest dataset of myocardial computed tomography perfusion (CTP) as compared to invasive evaluation. <strong>Methods: </strong>One hundred and twelve consecutive symptomatic patients scheduled for clinically indicated invasive coronary angiography (ICA) underwent CCTA plus static stress CTP and ICA with invasive fractional flow reserve (FFR) for stenoses ranging between 30 and 80%. Subsequently, a DL algorithm for the prediction of significant CAD by using the rest dataset (CTP-DL<sub>rest</sub>) and stress dataset (CTP-DL<sub>stress</sub>) was developed. The diagnostic accuracy for identification of significant CAD using CCTA, CCTA + CTP stress, CCTA + CTP-DL<sub>rest</sub>, and CCTA + CTP-DL<sub>stress</sub> was measured and compared. The time of analysis for CTP stress, CTP-DL<sub>rest</sub>, and CTP-DL<sub>Stress</sub> was recorded. <strong>Results: </strong>Patient-specific sensitivity, specificity, NPV, PPV, accuracy, and area under the curve (AUC) of CCTA alone and CCTA + CTP<sub>Stress</sub> were 100%, 33%, 100%, 54%, 63%, 67% and 86%, 89%, 89%, 86%, 88%, 87%, respectively. Patient-specific sensitivity, specificity, NPV, PPV, accuracy, and AUC of CCTA + DL<sub>rest</sub> and CCTA + DL<sub>stress</sub> were 100%, 72%, 100%, 74%, 84%, 96% and 93%, 83%, 94%, 81%, 88%, 98%, respectively. All CCTA + CTP stress, CCTA + CTP-DL<sub>Rest</sub>, and CCTA + CTP-DL<sub>Stress</sub> significantly improved detection of hemodynamically significant CAD compared to CCTA alone (p &lt; 0.01). Time of CTP-DL was significantly lower as compared to human analysis (39.2 ± 3.2 vs. 379.6 ± 68.0 s, p &lt; 0.001). <strong>Conclusion: </strong>Evaluation of myocardial ischemia using a DL approach on rest CTP datasets is feasible and accurate. This approach may be a useful gatekeeper prior to CTP stress<sub>.</sub>.
DOI: 10.5281/zenodo.7613097
title: Dataset related to the article "Diagnostic performance of deep learning algorithm for analysis of computed tomography myocardial perfusion"

description: This record contains raw data related to the article “Diagnostic performance of deep learning algorithm for analysis of computed tomography myocardial perfusion" <strong>Purpose: </strong>To evaluate the diagnostic accuracy of a deep learning (DL) algorithm predicting hemodynamically significant coronary artery disease (CAD) by using a rest dataset of myocardial computed tomography perfusion (CTP) as compared to invasive evaluation. <strong>Methods: </strong>One hundred and twelve consecutive symptomatic patients scheduled for clinically indicated invasive coronary angiography (ICA) underwent CCTA plus static stress CTP and ICA with invasive fractional flow reserve (FFR) for stenoses ranging between 30 and 80%. Subsequently, a DL algorithm for the prediction of significant CAD by using the rest dataset (CTP-DL<sub>rest</sub>) and stress dataset (CTP-DL<sub>stress</sub>) was developed. The diagnostic accuracy for identification of significant CAD using CCTA, CCTA + CTP stress, CCTA + CTP-DL<sub>rest</sub>, and CCTA + CTP-DL<sub>stress</sub> was measured and compared. The time of analysis for CTP stress, CTP-DL<sub>rest</sub>, and CTP-DL<sub>Stress</sub> was recorded. <strong>Results: </strong>Patient-specific sensitivity, specificity, NPV, PPV, accuracy, and area under the curve (AUC) of CCTA alone and CCTA + CTP<sub>Stress</sub> were 100%, 33%, 100%, 54%, 63%, 67% and 86%, 89%, 89%, 86%, 88%, 87%, respectively. Patient-specific sensitivity, specificity, NPV, PPV, accuracy, and AUC of CCTA + DL<sub>rest</sub> and CCTA + DL<sub>stress</sub> were 100%, 72%, 100%, 74%, 84%, 96% and 93%, 83%, 94%, 81%, 88%, 98%, respectively. All CCTA + CTP stress, CCTA + CTP-DL<sub>Rest</sub>, and CCTA + CTP-DL<sub>Stress</sub> significantly improved detection of hemodynamically significant CAD compared to CCTA alone (p &lt; 0.01). Time of CTP-DL was significantly lower as compared to human analysis (39.2 ± 3.2 vs. 379.6 ± 68.0 s, p &lt; 0.001). <strong>Conclusion: </strong>Evaluation of myocardial ischemia using a DL approach on rest CTP datasets is feasible and accurate. This approach may be a useful gatekeeper prior to CTP stress<sub>.</sub>.
DOI: 10.6084/m9.figshare.22046729
title: Grain size data of the Jingyuan, Lantian and Lixian section

description: Grain size data of the Jingyuan and Lantian loess‒paleosol deposits and the Lixian lacustrine sediments.
DOI: 10.6084/m9.figshare.22046729.v1
title: Grain size data of the Jingyuan, Lantian and Lixian section

description: Grain size data of the Jingyuan and Lantian loess‒paleosol deposits and the Lixian lacustrine sediments.
DOI: 10.5281/zenodo.7619717
title: Pervasive hydrous carbonatitic liquids mediate transfer of carbon from the slab to the subarc mantle

description: File Name: Supplementary Data 1<br> Description: Electron microprobe analyses of silicate melt and carbonated silicate melt File Name: Supplementary Data 2<br> Description: Electron microprobe analyses of quenched carbonate File Name: Supplementary Data 3<br> Description: Electron microprobe analyses of equilibrium carbonates File Name: Supplementary Data 4<br> Description: Electron microprobe analyses of glass spheres File Name: Supplementary Data 5<br> Description: Electron microprobe analyses of bulk compositions of quenched liquids File Name: Supplementary Data 6<br> Description: Electron microprobe analyses of garnet File Name: Supplementary Data 7<br> Description: Electron microprobe analyses of clinopyroxene File Name: Supplementary Data 8<br> Description: Electron microprobe analyses of phengite File Name: Supplementary Data 9<br> Description: Electron microprobe analyses of kyanite <br> File Name: Supplementary Data 10<br> Description: Electron microprobe analyses of magnetite
DOI: 10.5281/zenodo.7619716
title: Pervasive hydrous carbonatitic liquids mediate transfer of carbon from the slab to the subarc mantle

description: File Name: Supplementary Data 1<br> Description: Electron microprobe analyses of silicate melt and carbonated silicate melt File Name: Supplementary Data 2<br> Description: Electron microprobe analyses of quenched carbonate File Name: Supplementary Data 3<br> Description: Electron microprobe analyses of equilibrium carbonates File Name: Supplementary Data 4<br> Description: Electron microprobe analyses of glass spheres File Name: Supplementary Data 5<br> Description: Electron microprobe analyses of bulk compositions of quenched liquids File Name: Supplementary Data 6<br> Description: Electron microprobe analyses of garnet File Name: Supplementary Data 7<br> Description: Electron microprobe analyses of clinopyroxene File Name: Supplementary Data 8<br> Description: Electron microprobe analyses of phengite File Name: Supplementary Data 9<br> Description: Electron microprobe analyses of kyanite <br> File Name: Supplementary Data 10<br> Description: Electron microprobe analyses of magnetite
DOI: 10.6084/m9.figshare.19807858
title: Spectral and npFe datasets for Lu et al. 2022 NA-CE5

description: Reflectance and npFe abundance maps around CE-5 landing site. Citation: Lu, X., Chen, J., Ling, Z., et al., (2022), Mature lunar soils from Fe-rich and young mare basalts in the Chang'e-5 regolith samples. Nature Astronomy. https://www.nature.com/articles/s41550-022-01838-1.
DOI: 10.6084/m9.figshare.19807858.v3
title: Spectral and npFe datasets for Lu et al. 2022 NA-CE5

description: Reflectance and npFe abundance maps around CE-5 landing site. Citation: Lu, X., Chen, J., Ling, Z., et al., (2022), Mature lunar soils from Fe-rich and young mare basalts in the Chang'e-5 regolith samples. Nature Astronomy. https://www.nature.com/articles/s41550-022-01838-1.
DOI: 10.5281/zenodo.7619742
title: Pervasive hydrous carbonatitic liquids mediate transfer of carbon from the slab to the subarc mantle

description: File Name: Supplementary table 1 Description: Compositions of starting materials and global subducting sediments File Name: Supplementary table 2 Description: Experimental run conditions and phase assemblage File Name: Supplementary Data 1<br> Description: Electron microprobe analyses of silicate melt and carbonated silicate melt File Name: Supplementary Data 2<br> Description: Electron microprobe analyses of quenched carbonate File Name: Supplementary Data 3<br> Description: Electron microprobe analyses of equilibrium carbonates File Name: Supplementary Data 4<br> Description: Electron microprobe analyses of glass spheres File Name: Supplementary Data 5<br> Description: Electron microprobe analyses of bulk compositions of quenched liquids File Name: Supplementary Data 6<br> Description: Electron microprobe analyses of garnet File Name: Supplementary Data 7<br> Description: Electron microprobe analyses of clinopyroxene File Name: Supplementary Data 8<br> Description: Electron microprobe analyses of phengite File Name: Supplementary Data 9<br> Description: Electron microprobe analyses of kyanite <br> File Name: Supplementary Data 10<br> Description: Electron microprobe analyses of magnetite
DOI: 10.5281/zenodo.7619741
title: Pervasive hydrous carbonatitic liquids mediate transfer of carbon from the slab to the subarc mantle

description: File Name: Supplementary table 1 Description: Compositions of starting materials and global subducting sediments File Name: Supplementary table 2 Description: Experimental run conditions and phase assemblage File Name: Supplementary Data 1<br> Description: Electron microprobe analyses of silicate melt and carbonated silicate melt File Name: Supplementary Data 2<br> Description: Electron microprobe analyses of quenched carbonate File Name: Supplementary Data 3<br> Description: Electron microprobe analyses of equilibrium carbonates File Name: Supplementary Data 4<br> Description: Electron microprobe analyses of glass spheres File Name: Supplementary Data 5<br> Description: Electron microprobe analyses of bulk compositions of quenched liquids File Name: Supplementary Data 6<br> Description: Electron microprobe analyses of garnet File Name: Supplementary Data 7<br> Description: Electron microprobe analyses of clinopyroxene File Name: Supplementary Data 8<br> Description: Electron microprobe analyses of phengite File Name: Supplementary Data 9<br> Description: Electron microprobe analyses of kyanite <br> File Name: Supplementary Data 10<br> Description: Electron microprobe analyses of magnetite
DOI: 10.6084/m9.figshare.22046726
title: Data and Code1

description: Processing and analysis of bus data in Huangdao District, Qingdao in 2018 to optimise the departure schedule. The aim is to reduce the cost of travel for passengers and increase the revenue of the bus company.
DOI: 10.6084/m9.figshare.22045091.v2
title: The mechanism of emodin inhibits cell proliferation and EMT in human neuroblastoma SH-SY5Y cells

description: The experiment results of emodin in neuroblastoma SH-SY5Y cells.
DOI: 10.6084/m9.figshare.22046783
title: Repository.xlsx

description: · A total of 451 suspicious papers that are potentially linked to the Russia-based paper mill "International Publisher" LLC were identified.
DOI: 10.6084/m9.figshare.22046783.v1
title: Repository.xlsx

description: · A total of 451 suspicious papers that are potentially linked to the Russia-based paper mill "International Publisher" LLC were identified.
DOI: 10.5517/ccdc.csd.cc2bxw9g
title: CCDC 2172706: Experimental Crystal Structure Determination

description: Related Article: Chen Yang, Yuanyuan Gu, Kou-Lin Zhang|2023|Cryst.Growth Des.|23|704|doi:10.1021/acs.cgd.2c00712
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2cjlm4
title: CCDC 2190696: Experimental Crystal Structure Determination

description: Related Article: Liang Li, Shayan Louie, Austin M. Evans, Elena Meirzadeh, Colin Nuckolls, Latha Venkataraman|2023|J.Am.Chem.Soc.|145|2492|doi:10.1021/jacs.2c12059
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2d3s5h
title: CCDC 2208166: Experimental Crystal Structure Determination

description: Related Article: Ernesto Castellanos, Selvan Demir|2023|Inorg.Chem.|62|2095|doi:10.1021/acs.inorgchem.2c03735
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2d5pny
title: CCDC 2210010: Experimental Crystal Structure Determination

description: Related Article: Wenqiang Ma, Zhen-Qi Zhang, Qing Ma, Jie Tang, Wei Yang, Hongwei Yang, Guangbin Cheng, Gui-Juan Fan|2023|Cryst.Growth Des.|23|1127|doi:10.1021/acs.cgd.2c01268
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.