cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.20465563
title: Development and validation of a method for determination of 17 endocrine disrupting chemicals in milk, water, blood serum and feed by UHPLC-MS/MS

description: The concern for human exposure to bisphenol A (BPA) has led to the introduction of other bisphenols to be used as substitutes in industrial processes. These compounds show activity similar to BPA as endocrine disruptors and could be already widespread both in the environment and in food. To monitor their possible occurrence in the food chain, an analytical method based on affinity chromatography clean-up and UHPLC coupled to tandem mass spectrometry detection was developed and in-house validated according to European law, for simultaneous determination of 17 bisphenols in milk and blood serum from bovine and buffalo, in drinking water and in feed. The analytical performance parameters of the method for these matrices were determined. The results showed satisfactory precision in terms of relative standard deviation (3.3%–21.4%), overall good trueness as mean percentage recoveries (77.0%–119.4%), with the only exception of bisphenol PH and bisphenol S in milk and BPA diglycidyl ether in serum. The high specificity and sensitivity of the method allowed us to determine the analytes at very low concentrations, that is, 0.01–1.0 ng/mL in water, 0.1–2.0 ng/mL in milk, 0.01–1.0 ng/g in blood serum and 1.0–10.0 ng/g in feed.
DOI: 10.6084/m9.figshare.20465563.v1
title: Development and validation of a method for determination of 17 endocrine disrupting chemicals in milk, water, blood serum and feed by UHPLC-MS/MS

description: The concern for human exposure to bisphenol A (BPA) has led to the introduction of other bisphenols to be used as substitutes in industrial processes. These compounds show activity similar to BPA as endocrine disruptors and could be already widespread both in the environment and in food. To monitor their possible occurrence in the food chain, an analytical method based on affinity chromatography clean-up and UHPLC coupled to tandem mass spectrometry detection was developed and in-house validated according to European law, for simultaneous determination of 17 bisphenols in milk and blood serum from bovine and buffalo, in drinking water and in feed. The analytical performance parameters of the method for these matrices were determined. The results showed satisfactory precision in terms of relative standard deviation (3.3%–21.4%), overall good trueness as mean percentage recoveries (77.0%–119.4%), with the only exception of bisphenol PH and bisphenol S in milk and BPA diglycidyl ether in serum. The high specificity and sensitivity of the method allowed us to determine the analytes at very low concentrations, that is, 0.01–1.0 ng/mL in water, 0.1–2.0 ng/mL in milk, 0.01–1.0 ng/g in blood serum and 1.0–10.0 ng/g in feed.
DOI: 10.6084/m9.figshare.20531569.v1
title: Dietary exposure to low-calorie sweeteners in a sample of Brazilian pregnant women

description: The dietary exposure to low-calorie sweeteners (LCS) was estimated in a sample of pregnant Brazilian women. Consumption data were obtained with a 24-h Dietary Recall interview. Because of the uncertainty in assessing foods with LCS, they were classified into three scenarios to ensure inclusion of the 15 LCS allowed for use in Brazil: ranging from a less to a more conservative scenario. The concentration of LCS was estimated using the amount declared on the label or the maximum permitted levels and analytical determination data for table-top sweeteners. The frequency of consumption was higher for acesulfame-K, aspartame, and cyclamate. The food groups contributing the most to the consumption of LCS were non-alcoholic beverages, table-top sweeteners, confectionary and desserts. The level of dietary exposure to LCS was within the safety limit. However, continued efforts to monitor their dietary exposure are necessary given the limitations highlighted in this study.
DOI: 10.6084/m9.figshare.20531569
title: Dietary exposure to low-calorie sweeteners in a sample of Brazilian pregnant women

description: The dietary exposure to low-calorie sweeteners (LCS) was estimated in a sample of pregnant Brazilian women. Consumption data were obtained with a 24-h Dietary Recall interview. Because of the uncertainty in assessing foods with LCS, they were classified into three scenarios to ensure inclusion of the 15 LCS allowed for use in Brazil: ranging from a less to a more conservative scenario. The concentration of LCS was estimated using the amount declared on the label or the maximum permitted levels and analytical determination data for table-top sweeteners. The frequency of consumption was higher for acesulfame-K, aspartame, and cyclamate. The food groups contributing the most to the consumption of LCS were non-alcoholic beverages, table-top sweeteners, confectionary and desserts. The level of dietary exposure to LCS was within the safety limit. However, continued efforts to monitor their dietary exposure are necessary given the limitations highlighted in this study.
DOI: 10.21987/ck16-4p12
title: IRIS UMETRICS 2022 Auxiliary Files

description: The IRIS UMETRICS 2022 Data Release auxiliary files provide researchers with contextual information on institutions and demographic information about UMETRICS employees who are paid on sponsored projects. Files can also help to retrieve more details about the purpose of each employee / vendor / subaward transaction and sub-organization units (including standardized sub-organization unit names) where grants are administered and research is conducted.
DOI: 10.6084/m9.figshare.21263343
title: TAP1 - Chromatograms - rs1135216

description: <br> The DNA of mononuclear cells from the peripheral blood of patients, infected or not by HPV, were extracted by DNAzol (R), the promoter region of the TAP1 gene was amplified with specific primers by conventional PCR and sequenced to detect the rs1135216 polymorphism, generating chromatograms through of the ABI3500 Genetic analyzer platform
DOI: 10.6084/m9.figshare.21263343.v2
title: TAP1 - Chromatograms - rs1135216

description: <br> The DNA of mononuclear cells from the peripheral blood of patients, infected or not by HPV, were extracted by DNAzol (R), the promoter region of the TAP1 gene was amplified with specific primers by conventional PCR and sequenced to detect the rs1135216 polymorphism, generating chromatograms through of the ABI3500 Genetic analyzer platform
DOI: 10.6084/m9.figshare.21263343.v1
title: TAP1 - Chromatograms

description: <br> The DNA of mononuclear cells from the peripheral blood of patients, infected or not by HPV, were extracted by DNAzol (R), the promoter region of the TAP1 gene was amplified with specific primers by conventional PCR and sequenced to detect the rs1135216 polymorphism, generating chromatograms through of the ABI3500 Genetic analyzer platform
DOI: 10.5517/ccdc.csd.cc299lmv
title: CCDC 2124387: Experimental Crystal Structure Determination

description: Related Article: Puzhen Li, Meng Zhang, Thierry Maris, X.X. Zhu, James D. Wuest|2022|Cryst.Growth Des.|22|3505|doi:10.1021/acs.cgd.2c00310
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.cc299lnw
title: CCDC 2124388: Experimental Crystal Structure Determination

description: Related Article: Puzhen Li, Meng Zhang, Thierry Maris, X.X. Zhu, James D. Wuest|2022|Cryst.Growth Des.|22|3505|doi:10.1021/acs.cgd.2c00310
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.cc299lpx
title: CCDC 2124389: Experimental Crystal Structure Determination

description: Related Article: Puzhen Li, Meng Zhang, Thierry Maris, X.X. Zhu, James D. Wuest|2022|Cryst.Growth Des.|22|3505|doi:10.1021/acs.cgd.2c00310
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.cc299lqy
title: CCDC 2124390: Experimental Crystal Structure Determination

description: Related Article: Puzhen Li, Meng Zhang, Thierry Maris, X.X. Zhu, James D. Wuest|2022|Cryst.Growth Des.|22|3505|doi:10.1021/acs.cgd.2c00310
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.cc299lrz
title: CCDC 2124391: Experimental Crystal Structure Determination

description: Related Article: Puzhen Li, Meng Zhang, Thierry Maris, X.X. Zhu, James D. Wuest|2022|Cryst.Growth Des.|22|3505|doi:10.1021/acs.cgd.2c00310
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.cc299ls0
title: CCDC 2124392: Experimental Crystal Structure Determination

description: Related Article: Puzhen Li, Meng Zhang, Thierry Maris, X.X. Zhu, James D. Wuest|2022|Cryst.Growth Des.|22|3505|doi:10.1021/acs.cgd.2c00310
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.cc29dyth
title: CCDC 2127617: Experimental Crystal Structure Determination

description: Related Article: Paolo Suating, Nicholas E. Ernst, Busayo D. Alagbe, Hannah A. Skinner, Joel T. Mague, Henry S. Ashbaugh, Bruce C. Gibb|2022|J.Phys.Chem.B|126|3150|doi:10.1021/acs.jpcb.2c00628
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: 10.6084/m9.figshare.21266451
title: Figure 1

description: Figure 1
DOI: 10.6084/m9.figshare.21266451.v1
title: Figure 1

description: Figure 1
DOI: 10.6084/m9.figshare.21266466.v1
title: Untitled Item

description: FIgure 2
DOI: 10.6084/m9.figshare.21266466
title: Untitled Item

description: FIgure 2
DOI: 10.6084/m9.figshare.21266469
title: Figure 3

description: Figure 3
DOI: 10.6084/m9.figshare.21266469.v1
title: Figure 3

description: Figure 3
DOI: 10.6073/pasta/3eea3acd4e873b8514d8261a4d69f0ee
title: Grass-fed beef producers and retailers map

description: This data package includes two shapefiles and their associated attribute tables. The two files, GFB_producers_2021-02-18.zip and GFB_retailers_2021-02-18.zip, contain all internet-discoverable (at the time of data collection, July-August 2020; with minor edits/additions circa June 2022) grass-fed beef producers and retailers in the Southwest and Southern Plains of the U.S. (Arizona, California, Colorado, Kansas, Nevada, New Mexico, Oklahoma, Texas, Utah), compiled through an internet search. The data were initially collected in August of 2020 using publicly available information from Google search engine and Google map searches with the intention of informing members of the Sustainable Southwest Beef Project (USDA NIFA grant #2019-69012-29853) team about existing grass-fed beef producers and retailers in the study area.
DOI: 10.5281/zenodo.7140845
title: Diagnostic accuracy of a set of clinical and radiological criteria for screening of COVID-19 using RT-PCR as the reference standard - Dataset

description: Dataset of a cohort whose summary is described below. Abstract <strong>Objective:</strong> To evaluate the accuracy, sensitivity, specificity, positive predictive value (PPV), and negative predictive value (NPV) of a set of clinical-radiological criteria for COVID-19 screening in patients with severe acute respiratory failure (SARF) admitted to intensive care units (ICUs), using reverse-transcriptase polymerase chain reaction (RT-PCR) as the reference standard. <strong>Method: </strong>Diagnostic accuracy study including a historical cohort of 1009 patients consecutively admitted to ICUs across six hospitals in Curitiba (Brazil) from March to September, 2020. The sample was stratified into groups by the strength of suspicion for COVID-19 (strong <em>versus</em> weak) using parameters based on three clinical and radiological (chest computed tomography) criteria. The diagnosis of COVID-19 was confirmed by RT-PCR (referent). <strong>Results:</strong> With respect to RT-PCR, the proposed criteria had 98.5% (95% confidence interval [95% CI] 97.5–99.5%) sensitivity, 70% (95% CI 65.8–74.2%) specificity, 85.5% (95% CI 83.4–87.7%) accuracy, PPV of 79.7% (95% CI 76.6–82.7%) and NPV of 97.6% (95% CI 95.9–99.2%). <strong>Conclusion: </strong>The proposed set of clinical-radiological criteria were accurate in identifying patients with strong <em>versus</em> weak suspicion for COVID-19 and had high sensitivity and considerable specificity with respect to RT-PCR. These criteria may be useful for screening COVID-19 in patients presenting with SARF.
DOI: 10.5281/zenodo.7140844
title: Diagnostic accuracy of a set of clinical and radiological criteria for screening of COVID-19 using RT-PCR as the reference standard - Dataset

description: Dataset of a cohort whose summary is described below. Abstract <strong>Objective:</strong> To evaluate the accuracy, sensitivity, specificity, positive predictive value (PPV), and negative predictive value (NPV) of a set of clinical-radiological criteria for COVID-19 screening in patients with severe acute respiratory failure (SARF) admitted to intensive care units (ICUs), using reverse-transcriptase polymerase chain reaction (RT-PCR) as the reference standard. <strong>Method: </strong>Diagnostic accuracy study including a historical cohort of 1009 patients consecutively admitted to ICUs across six hospitals in Curitiba (Brazil) from March to September, 2020. The sample was stratified into groups by the strength of suspicion for COVID-19 (strong <em>versus</em> weak) using parameters based on three clinical and radiological (chest computed tomography) criteria. The diagnosis of COVID-19 was confirmed by RT-PCR (referent). <strong>Results:</strong> With respect to RT-PCR, the proposed criteria had 98.5% (95% confidence interval [95% CI] 97.5–99.5%) sensitivity, 70% (95% CI 65.8–74.2%) specificity, 85.5% (95% CI 83.4–87.7%) accuracy, PPV of 79.7% (95% CI 76.6–82.7%) and NPV of 97.6% (95% CI 95.9–99.2%). <strong>Conclusion: </strong>The proposed set of clinical-radiological criteria were accurate in identifying patients with strong <em>versus</em> weak suspicion for COVID-19 and had high sensitivity and considerable specificity with respect to RT-PCR. These criteria may be useful for screening COVID-19 in patients presenting with SARF.
DOI: 10.5281/zenodo.7140835
title: Convergence in Determining Enzyme Functional Descriptors across Kemp Eliminase Variants

description: SI data for the paper with the same title: Initial topology and coordinate files for 18 KE07-R7-2.
DOI: 10.5281/zenodo.7140834
title: Convergence in Determining Enzyme Functional Descriptors across Kemp Eliminase Variants

description: SI data for the paper with the same title: Initial topology and coordinate files for 18 KE07-R7-2.
DOI: 10.6084/m9.figshare.21266208
title: Prolyl Hydroxylase Inhibition and HIF-dependent Metabolic Reprogramming Protects Against Lethal SARS-CoV-2 Infection

description: Data is total sum normalized targeted metabolomics data from B6.Cg-Tg(K18-ACE2)2Prlmn/J mice (K18-hACE2) lungs. Data was collected as part of two seperate experiments designated by Exp413 and Exp415. Data was collected at day 3 and day 5 post infection with SARS-CoV-2 with or without treatment with the Prolyl Hydroxylase inhibitor DMOG. Data was collected as referenced in JCI Insight. 2022;7(2):e155896.https://doi.org/10.1172/jci.insight.155896. Methodology was based on the method established by McCloskey et. al. in https://doi.org/10.1007/s11306-015-0790-y.
DOI: 10.6084/m9.figshare.21266208.v1
title: Prolyl Hydroxylase Inhibition and HIF-dependent Metabolic Reprogramming Protects Against Lethal SARS-CoV-2 Infection

description: Data is total sum normalized targeted metabolomics data from B6.Cg-Tg(K18-ACE2)2Prlmn/J mice (K18-hACE2) lungs. Data was collected as part of two seperate experiments designated by Exp413 and Exp415. Data was collected at day 3 and day 5 post infection with SARS-CoV-2 with or without treatment with the Prolyl Hydroxylase inhibitor DMOG. Data was collected as referenced in JCI Insight. 2022;7(2):e155896.https://doi.org/10.1172/jci.insight.155896. Methodology was based on the method established by McCloskey et. al. in https://doi.org/10.1007/s11306-015-0790-y.
DOI: 10.5517/ccdc.csd.cc20gy4l
title: CCDC 1861399: Experimental Crystal Structure Determination

description: Related Article: Maryam Bazargan, Masoud Mirzaei, Abdul Samad Hamid, Zahra Heydaralizadeh Kafshdar, Hoda Ziaekhodadadian, Elham Momenzadeh, Joel T. Mague, Diego M. Gil, Rosa M. Gomila, Antonio Frontera|2022|CrystEngComm|24|6677|doi:10.1039/D2CE00656A
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.cc22yggz
title: CCDC 1934941: Experimental Crystal Structure Determination

description: Related Article: Maryam Bazargan, Masoud Mirzaei, Abdul Samad Hamid, Zahra Heydaralizadeh Kafshdar, Hoda Ziaekhodadadian, Elham Momenzadeh, Joel T. Mague, Diego M. Gil, Rosa M. Gomila, Antonio Frontera|2022|CrystEngComm|24|6677|doi:10.1039/D2CE00656A
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.cc273k53
title: CCDC 2058994: Experimental Crystal Structure Determination

description: Related Article: Arkalekha Mandal, Bhaskar Nath|2022|CrystEngComm|24|6669|doi:10.1039/D2CE00555G
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.cc27wj6w
title: CCDC 2082028: Experimental Crystal Structure Determination

description: Related Article: Song Xing|2021|CSD Communication|||
description: Related Article: Xing Song, Xiaoli Hu, Zihan Lin, Chaohong Ma, Zhongmin Su|2022|CrystEngComm|24|6771|doi:10.1039/D2CE00901C
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: 10.21987/09dw-vm46
title: IRIS UMETRICS 2022 Core Files

description: The IRIS UMETRICS 2022 Data Release core files include university financial and personnel administrative data pertaining to sponsored project expenditures at IRIS universities during a given year. UMETRICS core files are based on administrative data drawn directly from sponsored projects, procurement, and human resources data systems on each IRIS university’s campus. 2022 core files include data from 36 universities, with coverage between 2001 and 2021; coverage varies by institution.
DOI: 10.18112/openneuro.ds004284.v1.0.0
title: eeg-neuroforecasting
DOI: 10.18112/openneuro.ds003659.v1.1.0
title: ScanTrain
DOI: 10.6084/m9.figshare.21154460
title: ProcB_data.xlsx from Natural variation in developmental condition has limited effect on spatial cognition in a wild food-caching bird

description: Contains all the data used in the study in two separate sheets of an excel file.
DOI: 10.6084/m9.figshare.21154460.v2
title: ProcB_data.xlsx from Natural variation in developmental condition has limited effect on spatial cognition in a wild food-caching bird

description: Contains all the data used in the study in two separate sheets of an excel file.
DOI: 10.6084/m9.figshare.21154460.v1
title: ProcB_data.xlsx from Natural variation in developmental condition has limited effect on spatial cognition in a wild food-caching bird

description: Contains all the data used in the study in two separate sheets of an excel file.
DOI: 10.5517/ccdc.csd.cc294x1f
title: CCDC 2119874: Experimental Crystal Structure Determination

description: Related Article: Bingjia Yan, Peter N. Horton, Simon C. Weston, Christopher J. Wedge, Andrea E. Russell, Martin C. Grossel|2022|CrystEngComm|24|6705|doi:10.1039/D2CE00773H
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.cc294x2g
title: CCDC 2119875: Experimental Crystal Structure Determination

description: Related Article: Bingjia Yan, Peter N. Horton, Simon C. Weston, Christopher J. Wedge, Andrea E. Russell, Martin C. Grossel|2022|CrystEngComm|24|6705|doi:10.1039/D2CE00773H
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.