cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2c4d31
title: CCDC 2178962: Experimental Crystal Structure Determination

description: Related Article: Jiang Dai, Wei Xiong, Mu-Rong Du, Gang Wu, Zhongzheng Cai, Jian-Bo Zhu|2023|Sci.China.Chem.|66|251|doi:10.1007/s11426-022-1392-8
description: Related Article: jiang dai|2022|CSD Communication|||
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.cc2c79db
title: CCDC 2181761: Experimental Crystal Structure Determination

description: Related Article: Yingjie Fan, Haifeng Zheng, Steven Labalme, Wenbin Lin|2023|J.Am.Chem.Soc.|145|4158|doi:10.1021/jacs.2c12599
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.22714576
title: ICSME 2023

description: ICSME 2023
DOI: 10.6084/m9.figshare.22714576.v1
title: ICSME 2023

description: ICSME 2023
DOI: 10.5281/zenodo.7872767
title: OpenMM simulations of DMPC using the CHARMM Drude2023 force field

description: The dataset contains a PSF, a formatted coordinate file (CRD), and DCD files with the final 200 ns from<br> each of 3 replicate simulations from the paper <br> <strong>Drude Polarizable Lipid Force Field with Explicit Treatment of LongRange Dispersion:<br> Parametrization and Validation for Saturated and Monounsaturated Zwitterionic Lipids</strong><br> Yalun Yu, Richard M. Venable, Jonathan Thirman, Payal Chatterjee, Anmol Kumar, Richard W. Pastor,*<br> Benoît Roux,* Alexander D. MacKerell, Jr.,* and Jeffery B. Klauda*<br> https://doi.org/10.1021/acs.jctc.3c00203 DCD file names indicate the lipid, replica number, and the time point of the final coordinate set in the file Each file has 50 ns of data, with coordinate sets spaced at 10 ps between frames.
description: The data files contain additional atom types for the Drude particles and oxygen lone pairs
DOI: 10.5281/zenodo.7872766
title: OpenMM simulations of DMPC using the CHARMM Drude2023 force field

description: The dataset contains a PSF, a formatted coordinate file (CRD), and DCD files with the final 200 ns from<br> each of 3 replicate simulations from the paper <br> <strong>Drude Polarizable Lipid Force Field with Explicit Treatment of LongRange Dispersion:<br> Parametrization and Validation for Saturated and Monounsaturated Zwitterionic Lipids</strong><br> Yalun Yu, Richard M. Venable, Jonathan Thirman, Payal Chatterjee, Anmol Kumar, Richard W. Pastor,*<br> Benoît Roux,* Alexander D. MacKerell, Jr.,* and Jeffery B. Klauda*<br> https://doi.org/10.1021/acs.jctc.3c00203 DCD file names indicate the lipid, replica number, and the time point of the final coordinate set in the file Each file has 50 ns of data, with coordinate sets spaced at 10 ps between frames.
description: The data files contain additional atom types for the Drude particles and oxygen lone pairs
DOI: 10.3886/e105080v1-137440
title: Upstart Industrialization and Exports: Evidence from Japan, 1880–1910

description: This is a replication package for the paper titled "Upstart Industrialization and Exports: Evidence from Japan, 1880–1910". The paper was published by the Journal of Economic History in 2018. The main file is a stata .do file. (ICPSR Replication- Meissner - Tang Upstart Industrialization - JEH - 092019.do) <br><br>We used Stata 15 to create all Stata files. Running this .do file will create results from all tables and figures in the paper. The code from each table and figure is commented in the .do file. There are many auxiliary files that must be called. These can be found in the associated .zip file. <br><br>There is one excel file included in the zip archive "Japan_trade_tables_figures-JEH-Meissner-Tang-Japan.xlsx" which has versions of the published tables and figures with a few other results not published in tabular form in the paper.
DOI: 10.5519/qd.eqex3f3x
title: Query on the Natural History Museum Data Portal (data.nhm.ac.uk) (13 records)
DOI: 10.6084/m9.figshare.22714585
title: Finnish Sauna Bathing and Vascular Health of Adults with Coronary Artery Disease: a Randomised Controlled Trial

description: Raw data.
DOI: 10.6084/m9.figshare.22714585.v1
title: Finnish Sauna Bathing and Vascular Health of Adults with Coronary Artery Disease: a Randomised Controlled Trial

description: Raw data.
DOI: 10.6084/m9.figshare.22337146
title: Correspondence between Theory and Methodology: A Case Study of Accounting for the Environment in Organisational Research

description: The dataset information relates to the journal article titled: Correspondence between Theory and Methodology: A Case Study of Accounting for the Environment in Organisational Research
DOI: 10.5281/zenodo.7872631
title: The Montreal Protocol is delaying the occurrence of the first ice-free Arctic summer

description: Data needed to reproduce results from this PNAS study, England and Polvani (2023). These include the sea ice concentration, surface temperature and sea ice extent from the standard CESM1 runs 1985-2050 with RCP4.5 and RCP8.5, the companion World Avoided RCP4.5 and RCP8.5 simulations and the World Avoided with ODS only RCP4.5 simulations.
DOI: 10.5281/zenodo.7872630
title: The Montreal Protocol is delaying the occurrence of the first ice-free Arctic summer

description: Data needed to reproduce results from this PNAS study, England and Polvani (2023). These include the sea ice concentration, surface temperature and sea ice extent from the standard CESM1 runs 1985-2050 with RCP4.5 and RCP8.5, the companion World Avoided RCP4.5 and RCP8.5 simulations and the World Avoided with ODS only RCP4.5 simulations.
DOI: 10.6084/m9.figshare.22714600
title: List of NGEE-Tropics Datasets, Barro Colorado Island, Panama

description: List of data products with DOIs derived from BCI observations specifically for use by Vegetation Demography Models (VDMs) and new data produced by the NGEE-Tropics project to fill gaps in observations important to VDM simulations, as well as simulation outputs. Complete datasets are publicly available through the NGEE-Tropics archive (https://ngt-data.lbl.gov/dois/). Digital Object Identifiers (DOI) are persistent identifiers that can be used to cite data products. Each dataset is also given a project identifier (Dataset ID). List is as of April 2023. These are data products in addition to all of the research datasets generated at BCI over 100 years.
DOI: 10.6084/m9.figshare.22714600.v1
title: List of NGEE-Tropics Datasets, Barro Colorado Island, Panama

description: List of data products with DOIs derived from BCI observations specifically for use by Vegetation Demography Models (VDMs) and new data produced by the NGEE-Tropics project to fill gaps in observations important to VDM simulations, as well as simulation outputs. Complete datasets are publicly available through the NGEE-Tropics archive (https://ngt-data.lbl.gov/dois/). Digital Object Identifiers (DOI) are persistent identifiers that can be used to cite data products. Each dataset is also given a project identifier (Dataset ID). List is as of April 2023. These are data products in addition to all of the research datasets generated at BCI over 100 years.
DOI: 10.5281/zenodo.7872783
title: OpenMM simulations of DLPC using the CHARMM Drude2023 force field

description: The dataset contains a PSF, a formatted coordinate file (CRD), and DCD files with the final 200 ns from<br> each of 3 replicate simulations from the paper <br> <strong>Drude Polarizable Lipid Force Field with Explicit Treatment of LongRange Dispersion:<br> Parametrization and Validation for Saturated and Monounsaturated Zwitterionic Lipids</strong><br> Yalun Yu, Richard M. Venable, Jonathan Thirman, Payal Chatterjee, Anmol Kumar, Richard W. Pastor,*<br> Benoît Roux,* Alexander D. MacKerell, Jr.,* and Jeffery B. Klauda*<br> https://doi.org/10.1021/acs.jctc.3c00203 <br> DCD file names indicate the lipid, replica number, and the time point of the final coordinate set in the file<br> Each file has 50 ns of data, with coordinate sets spaced at 10 ps between frames.
description: The data files contain additional atom types for the Drude particles and oxygen lone pairs
DOI: 10.5281/zenodo.7872782
title: OpenMM simulations of DLPC using the CHARMM Drude2023 force field

description: The dataset contains a PSF, a formatted coordinate file (CRD), and DCD files with the final 200 ns from<br> each of 3 replicate simulations from the paper <br> <strong>Drude Polarizable Lipid Force Field with Explicit Treatment of LongRange Dispersion:<br> Parametrization and Validation for Saturated and Monounsaturated Zwitterionic Lipids</strong><br> Yalun Yu, Richard M. Venable, Jonathan Thirman, Payal Chatterjee, Anmol Kumar, Richard W. Pastor,*<br> Benoît Roux,* Alexander D. MacKerell, Jr.,* and Jeffery B. Klauda*<br> https://doi.org/10.1021/acs.jctc.3c00203 <br> DCD file names indicate the lipid, replica number, and the time point of the final coordinate set in the file<br> Each file has 50 ns of data, with coordinate sets spaced at 10 ps between frames.
description: The data files contain additional atom types for the Drude particles and oxygen lone pairs
DOI: 10.5281/zenodo.6499388
title: Persistent serum protein signatures define an inflammatory subset of long COVID

description: <strong>Readme:</strong><br> This repository consists of the data and R-code to generate the figures of the manuscript. .R Code chunks with the prefix 1-5 contains code for the Rule-in and module based approach to identify PASC clusters, corresponding to Figure 1A and Supplementary figure 3B. .R Code chunk with the prefix 6 contains code of the deeper dive Olink analysis, antibody titer analysis and clinical activity score analysis post identifying PASC clusters, corresponding to all other figures of the manuscript. <strong>One Sentence Summary:</strong> Serum proteome profiling identifies subsets of long COVID patients with evidence of persistent inflammation including key immune signaling pathways that may be amenable to therapeutic intervention. <strong>Abstract:</strong><br> Long COVID or post-acute sequelae of SARS-CoV-2 (PASC) is a clinical syndrome featuring diverse symptoms that can persist for months after acute SARS-CoV-2 infection. The etiologies are unknown but may include persistent inflammation, unresolved tissue damage, or delayed clearance of viral protein or RNA. Attempts to classify subsets of PASC by symptoms alone have been unsuccessful. To molecularly define PASC, we evaluated the serum proteome in longitudinal samples from 55 PASC individuals with symptoms lasting ≥60 days after onset of acute infection and compared this to symptomatically recovered SARS-CoV-2 infected and uninfected individuals. We identified subsets of PASC with distinct signatures of persistent inflammation. Type II interferon signaling and canonical NF-κB signaling (particularly associated with TNF), were the most differentially enriched pathways. These findings help to resolve the heterogeneity of PASC, identify patients with molecular evidence of persistent inflammation, and highlight dominant pathways that may have diagnostic or therapeutic relevance.
DOI: 10.5281/zenodo.6499387
title: Persistent serum protein signatures define an inflammatory subcategory of long COVID

description: <strong>Readme:</strong><br> This repository consists of the input data, figure source data and R-code to perform analysis and generate figures of the manuscript <strong>Abstract:</strong><br> Long COVID or post-acute sequelae of SARS-CoV-2 (PASC) is a clinical syndrome featuring diverse symptoms that can persist for months following acute SARS-CoV-2 infection. The aetiologies may include persistent inflammation, unresolved tissue damage or delayed clearance of viral protein or RNA, but the biological differences they represent are not fully understood. Here we evaluate the serum proteome in samples, longitudinally collected from 55 PASC individuals with symptoms lasting ≥60 days after onset of acute infection, in comparison to samples from symptomatically recovered SARS-CoV-2 infected and uninfected individuals. Our analysis indicates heterogeneity in PASC and identified subsets with distinct signatures of persistent inflammation. Type II interferon signaling and canonical NF-κB signaling (particularly associated with TNF), appear to be the most differentially enriched signaling pathways, distinguishing a group of patients characterized also by a persistent neutrophil activation signature. These findings help to clarify biological diversity within PASC, identify participants with molecular evidence of persistent inflammation, and highlight dominant pathways that may have diagnostic or therapeutic relevance, including a protein panel that we propose as diagnostic utility for differentiating inflammatory and non-inflammatory PASC.
DOI: 10.5281/zenodo.7872791
title: Persistent serum protein signatures define an inflammatory subcategory of long COVID

description: <strong>Readme:</strong><br> This repository consists of the input data, figure source data and R-code to perform analysis and generate figures of the manuscript <strong>Abstract:</strong><br> Long COVID or post-acute sequelae of SARS-CoV-2 (PASC) is a clinical syndrome featuring diverse symptoms that can persist for months following acute SARS-CoV-2 infection. The aetiologies may include persistent inflammation, unresolved tissue damage or delayed clearance of viral protein or RNA, but the biological differences they represent are not fully understood. Here we evaluate the serum proteome in samples, longitudinally collected from 55 PASC individuals with symptoms lasting ≥60 days after onset of acute infection, in comparison to samples from symptomatically recovered SARS-CoV-2 infected and uninfected individuals. Our analysis indicates heterogeneity in PASC and identified subsets with distinct signatures of persistent inflammation. Type II interferon signaling and canonical NF-κB signaling (particularly associated with TNF), appear to be the most differentially enriched signaling pathways, distinguishing a group of patients characterized also by a persistent neutrophil activation signature. These findings help to clarify biological diversity within PASC, identify participants with molecular evidence of persistent inflammation, and highlight dominant pathways that may have diagnostic or therapeutic relevance, including a protein panel that we propose as diagnostic utility for differentiating inflammatory and non-inflammatory PASC.
DOI: 10.25422/azu.data.14272427.v1
title: Emerald Ash Borer Pheno Forecast, Contiguous United States, 2016 - Current Year

description: Pheno Forecast maps predict key life cycle stages in a range of species to improve conservation and management outcomes. For insect pest species, Pheno Forecasts are based on published growing degree day (GDD) thresholds for key points in species life cycles. These key points typically represent life cycle stages when management actions are most effective. These maps are updated daily and available 6 days in the future. We forecast adult emergence in emerald ash borer (<i>Agrilus planipennis</i>) at 450-1500F growing degree days (base 50F, start date: January 1, double sine GDD method). Forecasts are available for the current and prior year in the the USA-NPN Visualization Tool (https://www.usanpn.org/data/visualizations) and 2016-present through USA-NPN Geo Web Services (available upon request). Emerald ash borer causes significant harm to ash trees throughout the eastern United States.<br><br><br><i>For all inquiries regarding this dataset, please contact the USA-NPN. This data is subject to the USA-NPN's Data Use Policy.</i><br>
DOI: 10.34740/kaggle/dsv/5544013
title: Russian biggest government procurement contracts
DOI: 10.34740/kaggle/dsv/5544051
title: 89k ChatGPT conversations
DOI: 10.5517/ccdc.csd.cc2ch096
title: CCDC 2189167: Experimental Crystal Structure Determination

description: Related Article: Erdem Atalay Çetinkaya, Ahmet Koç, Hatice Kübra Koç, Hande Karabıyık, Hasan Karabıyık, Elvan Üstün, İsmail Özdemir |2023|Polyhedron|237|116383|doi:10.1016/j.poly.2023.116383
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.cc2cky30
title: CCDC 2191982: Experimental Crystal Structure Determination

description: Related Article: Minghe Sun, Linsheng Wei, Changkun Li|2023|J.Am.Chem.Soc.|145|3897|doi:10.1021/jacs.3c00244
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.cc2ckz1z
title: CCDC 2192011: Experimental Crystal Structure Determination

description: Related Article: Anish Gupta, Tanvi Jandial, Muthu Karuppasamy, Nattamai Bhuvanesh, Subbiah Nagarajan, C. Uma Maheswari, Vellaisamy Sridharan|2023|Chem.Commun.|59|5233|doi:10.1039/D3CC01370G
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.cc2cnygg
title: CCDC 2194876: Experimental Crystal Structure Determination

description: Related Article: Amit Ghosh, Laura Slappendel, Bao-Nguyen T. Nguyen, Larissa K. S. von Krbek, Tanya K. Ronson, Ana M. Castilla, Jonathan R. Nitschke|2023|J.Am.Chem.Soc.|145|3828|doi:10.1021/jacs.2c10084
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.cc2d2tgs
title: CCDC 2207245: Experimental Crystal Structure Determination

description: Related Article: Nour El Beyrouti, Felix Houard, Marie Cordier, Elzbieta Trzop, Stéphane Rigaut, Boris Le Guennic, Kevin Bernot, Lucie Norel|2023|Chem.Commun.|59|5265|doi:10.1039/D3CC01037F
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.cc2d2tht
title: CCDC 2207246: Experimental Crystal Structure Determination

description: Related Article: Nour El Beyrouti, Felix Houard, Marie Cordier, Elzbieta Trzop, Stéphane Rigaut, Boris Le Guennic, Kevin Bernot, Lucie Norel|2023|Chem.Commun.|59|5265|doi:10.1039/D3CC01037F
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.cc2d3l7c
title: CCDC 2207982: Experimental Crystal Structure Determination

description: Related Article: Saeed Hosseinpoor, Mehrdad Pourayoubi, Mozhgan Abrishami, Marjan Sobati, Fatemeh Karimi Ahmadabad, Fahimeh Sabbaghi, Marek Nečas, Michal Dušek, Monika Kučeráková, Manpreet Kaur|2023|CrystEngComm|25|2557|doi:10.1039/D3CE00204G
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.cc2d3lbg
title: CCDC 2207985: Experimental Crystal Structure Determination

description: Related Article: Saeed Hosseinpoor, Mehrdad Pourayoubi, Mozhgan Abrishami, Marjan Sobati, Fatemeh Karimi Ahmadabad, Fahimeh Sabbaghi, Marek Nečas, Michal Dušek, Monika Kučeráková, Manpreet Kaur|2023|CrystEngComm|25|2557|doi:10.1039/D3CE00204G
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.cc1j5ny9
title: CCDC 1405631: Experimental Crystal Structure Determination

description: Related Article: Saeed Hosseinpoor, Mehrdad Pourayoubi, Mozhgan Abrishami, Marjan Sobati, Fatemeh Karimi Ahmadabad, Fahimeh Sabbaghi, Marek Nečas, Michal Dušek, Monika Kučeráková, Manpreet Kaur|2023|CrystEngComm|25|2557|doi:10.1039/D3CE00204G
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.cc2d3lch
title: CCDC 2207986: Experimental Crystal Structure Determination

description: Related Article: Saeed Hosseinpoor, Mehrdad Pourayoubi, Mozhgan Abrishami, Marjan Sobati, Fatemeh Karimi Ahmadabad, Fahimeh Sabbaghi, Marek Nečas, Michal Dušek, Monika Kučeráková, Manpreet Kaur|2023|CrystEngComm|25|2557|doi:10.1039/D3CE00204G
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.cc2d3ldj
title: CCDC 2207987: Experimental Crystal Structure Determination

description: Related Article: Saeed Hosseinpoor, Mehrdad Pourayoubi, Mozhgan Abrishami, Marjan Sobati, Fatemeh Karimi Ahmadabad, Fahimeh Sabbaghi, Marek Nečas, Michal Dušek, Monika Kučeráková, Manpreet Kaur|2023|CrystEngComm|25|2557|doi:10.1039/D3CE00204G
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.22714693
title: Informe de Scalable Link Interface .docx

description: Analizo sobre la tecnologia RTX QUADRO A SERIES.
DOI: 10.6084/m9.figshare.22714693.v1
title: Informe de Scalable Link Interface .docx

description: Analizo sobre la tecnologia RTX QUADRO A SERIES.