cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2598tl
title: CCDC 2004919: Experimental Crystal Structure Determination

description: Related Article: Carsten L. Schmidt, Jürgen Nuss, Martin Jansen|2020|Solid State Sciences|107|106347|doi:10.1016/j.solidstatesciences.2020.106347
DOI: 10.5517/ccdc.csd.cc2533t7
title: CCDC 1998998: Experimental Crystal Structure Determination

description: Related Article: Yong Ai,  Yu-Ling Zeng,  Wen-Hui He,  Xue-Qin Huang,  Yuan-Yuan Tang|2020|J.Am.Chem.Soc.|142|13989|doi:10.1021/jacs.0c06936
DOI: 10.5517/ccdc.csd.cc25brx6
title: CCDC 2006348: Experimental Crystal Structure Determination

description: Related Article: Supriya Bhunia, Anirban Dolai, Subhas Samanta|2020|Chem.Commun.|56|10247|doi:10.1039/D0CC04098C
DOI: 10.6084/m9.figshare.4311920.v1
title: Easier contagion and weaker ties make anger spread faster than joy in social media

description: The two datasets are Weibo data which are used in paper named "Easier contagion and weaker ties make anger spread faster than joy in social media". (https://arxiv.org/abs/1608.03656)<br>Any issues please feel free to contact Jichang Zhao through jichang@buaa.edu.cn.<br>The first dataset, named "users_data", includes 11,753,609 tweets posted by 92,176 users from Sep., 2014 to Mar., 2015. "tweets.txt" and "graph.txt" are the tweets with emotion label and the follow relationship of all users, respectively. In "graph.txt", every line is a following relation which contain two columns. The first item is the follower and the second is the followee. In "tweets.txt", each tweet is represented by three items which respectively are user's id, created time and emotion. If there is a "==&gt;" in the line, it means that this is a retweet and the tweet after "==&gt;" is the original one.<br>The second dataset, which is in the "event_tweets" directory, includes 40,005,242 tweets of 616 different events. Each file in the directory contains tweets that related to the the specific event. And tweets are represented by the created time and the emotion label.
DOI: 10.6084/m9.figshare.4311917
title: Data papers

description: This dataset includes time-series (dates of their establishment to June 2016) records of data papers published in two data journals, Biodiversity Data Journal and Scientific Data.
DOI: 10.6084/m9.figshare.4311917.v1
title: Data papers

description: This dataset includes time-series (dates of their establishment to June 2016) records of data papers published in two data journals, Biodiversity Data Journal and Scientific Data.
DOI: 10.6084/m9.figshare.4311896
title: Fluorescence lifetime and excitation-emission spectra of paper membranes used as substrates in diagnostics

description: These data supplement a publication describing the auto-fluorescence of materials commonly used in paper-based microfluidics. The data presented include excitation-emission matrices of nitrocellulose, cellulose, and glass fiber manufactured by GE and Millipore, among others, and fluorescence lifetime data for Millipore HF120 nitrocellulose. The abstract of the publication follows:<br>-------------------------------------------------------------<br><br>Porous media made of nitrocellulose and glass fiber are common “paper” substrates for lateral flow assays, microfluidic paper analytical devices, and other point-of-care diagnostic assays. Such assays commonly use optical labels such as gold nanoparticles, latex beads, or fluorescent nanoparticles to visualize the presence of analytes. Fluorescent labels are commonly used in bioassays to enhance sensitivity, but paper autoluminescence worsens signal-to-noise ratios of paper-based fluorescence assays. To date, there exists no systematic investigation of autoluminescence wavelengths or lifetimes of paper membranes. In response, we quantified the autoluminescence of commonly-used papers across the visible spectrum via excitation-emission spectroscopy and time-resolved fluorescence spectroscopy, and demonstrate that autoluminescence is solely due to autofluorescence with lifetimes of about 5 ns in the visible spectrum. Counterintuitively, we found that spectroscopy alone does not provide sufficient information to select candidate paper substrates for fluorophore-labeled assays. Therefore, we developed a simple quantitative framework to select a low-fluorescence substrate that minimizes both the overlap of paper and fluorophore emission spectra and the fluorescence intensity on an imaging system of interest (such as a gel imager). Use of this framework was shown to improve the limit of detection of an influenza A nucleoprotein immunoassay by over 50%. The tools developed in this manuscript may similarly enable other assay developers to screen appropriate, low-fluorescence paper substrates and enhance the sensitivity of paper-based fluorescence assays.<br>
DOI: 10.6084/m9.figshare.4311896.v1
title: Fluorescence lifetime and excitation-emission spectra of paper membranes used as substrates in diagnostics

description: These data supplement a publication describing the auto-fluorescence of materials commonly used in paper-based microfluidics. The data presented include excitation-emission matrices of nitrocellulose, cellulose, and glass fiber manufactured by GE and Millipore, among others, and fluorescence lifetime data for Millipore HF120 nitrocellulose. The abstract of the publication follows:<br>-------------------------------------------------------------<br><br>Porous media made of nitrocellulose and glass fiber are common “paper” substrates for lateral flow assays, microfluidic paper analytical devices, and other point-of-care diagnostic assays. Such assays commonly use optical labels such as gold nanoparticles, latex beads, or fluorescent nanoparticles to visualize the presence of analytes. Fluorescent labels are commonly used in bioassays to enhance sensitivity, but paper autoluminescence worsens signal-to-noise ratios of paper-based fluorescence assays. To date, there exists no systematic investigation of autoluminescence wavelengths or lifetimes of paper membranes. In response, we quantified the autoluminescence of commonly-used papers across the visible spectrum via excitation-emission spectroscopy and time-resolved fluorescence spectroscopy, and demonstrate that autoluminescence is solely due to autofluorescence with lifetimes of about 5 ns in the visible spectrum. Counterintuitively, we found that spectroscopy alone does not provide sufficient information to select candidate paper substrates for fluorophore-labeled assays. Therefore, we developed a simple quantitative framework to select a low-fluorescence substrate that minimizes both the overlap of paper and fluorophore emission spectra and the fluorescence intensity on an imaging system of interest (such as a gel imager). Use of this framework was shown to improve the limit of detection of an influenza A nucleoprotein immunoassay by over 50%. The tools developed in this manuscript may similarly enable other assay developers to screen appropriate, low-fluorescence paper substrates and enhance the sensitivity of paper-based fluorescence assays.<br>
DOI: 10.6084/m9.figshare.4311896.v3
title: Fluorescence lifetime and excitation-emission spectra of paper membranes used as substrates in diagnostics

description: These data supplement a publication describing the auto-fluorescence of materials commonly used in paper-based microfluidics. The data presented include excitation-emission matrices of nitrocellulose, cellulose, and glass fiber manufactured by GE and Millipore, among others, and fluorescence lifetime data for Millipore HF120 nitrocellulose. The abstract of the publication follows:<br>-------------------------------------------------------------<br><br>Porous media made of nitrocellulose and glass fiber are common “paper” substrates for lateral flow assays, microfluidic paper analytical devices, and other point-of-care diagnostic assays. Such assays commonly use optical labels such as gold nanoparticles, latex beads, or fluorescent nanoparticles to visualize the presence of analytes. Fluorescent labels are commonly used in bioassays to enhance sensitivity, but paper autoluminescence worsens signal-to-noise ratios of paper-based fluorescence assays. To date, there exists no systematic investigation of autoluminescence wavelengths or lifetimes of paper membranes. In response, we quantified the autoluminescence of commonly-used papers across the visible spectrum via excitation-emission spectroscopy and time-resolved fluorescence spectroscopy, and demonstrate that autoluminescence is solely due to autofluorescence with lifetimes of about 5 ns in the visible spectrum. Counterintuitively, we found that spectroscopy alone does not provide sufficient information to select candidate paper substrates for fluorophore-labeled assays. Therefore, we developed a simple quantitative framework to select a low-fluorescence substrate that minimizes both the overlap of paper and fluorophore emission spectra and the fluorescence intensity on an imaging system of interest (such as a gel imager). Use of this framework was shown to improve the limit of detection of an influenza A nucleoprotein immunoassay by over 50%. The tools developed in this manuscript may similarly enable other assay developers to screen appropriate, low-fluorescence paper substrates and enhance the sensitivity of paper-based fluorescence assays.<br>
DOI: 10.6084/m9.figshare.4311896.v2
title: Fluorescence lifetime and excitation-emission spectra of paper membranes used as substrates in diagnostics

description: These data supplement a publication describing the auto-fluorescence of materials commonly used in paper-based microfluidics. The data presented include excitation-emission matrices of nitrocellulose, cellulose, and glass fiber manufactured by GE and Millipore, among others, and fluorescence lifetime data for Millipore HF120 nitrocellulose. The abstract of the publication follows:<br>-------------------------------------------------------------<br><br>Porous media made of nitrocellulose and glass fiber are common “paper” substrates for lateral flow assays, microfluidic paper analytical devices, and other point-of-care diagnostic assays. Such assays commonly use optical labels such as gold nanoparticles, latex beads, or fluorescent nanoparticles to visualize the presence of analytes. Fluorescent labels are commonly used in bioassays to enhance sensitivity, but paper autoluminescence worsens signal-to-noise ratios of paper-based fluorescence assays. To date, there exists no systematic investigation of autoluminescence wavelengths or lifetimes of paper membranes. In response, we quantified the autoluminescence of commonly-used papers across the visible spectrum via excitation-emission spectroscopy and time-resolved fluorescence spectroscopy, and demonstrate that autoluminescence is solely due to autofluorescence with lifetimes of about 5 ns in the visible spectrum. Counterintuitively, we found that spectroscopy alone does not provide sufficient information to select candidate paper substrates for fluorophore-labeled assays. Therefore, we developed a simple quantitative framework to select a low-fluorescence substrate that minimizes both the overlap of paper and fluorophore emission spectra and the fluorescence intensity on an imaging system of interest (such as a gel imager). Use of this framework was shown to improve the limit of detection of an influenza A nucleoprotein immunoassay by over 50%. The tools developed in this manuscript may similarly enable other assay developers to screen appropriate, low-fluorescence paper substrates and enhance the sensitivity of paper-based fluorescence assays.<br>
DOI: 10.6084/m9.figshare.4311851
title: Algae Growth in Recycled Cultivation Water: Database for Meta-analysis

description: This dataset includes information and extracted data from 86 previously published studies that experimented with algae growth in recycled cultivation water. The Data Extraction Protocol includes descriptions of all variables (column headers) and how each variable was collected/measured/decided, if applicable. <br>For more information, please see the publication & additional supplementary information that accompanies this dataset. Please cite this publication if using the dataset, since it describes how the dataset was created.<br>Publication:<br>Loftus, S.E. and Johnson, Z.I. "Cross-study analysis of factors affecting algae cultivation in recycled medium," Algal Research Volume 24 Part A, pp 154-166 (2017).
DOI: 10.6084/m9.figshare.4311851.v1
title: Algae Growth in Recycled Cultivation Water: Database for Meta-analysis

description: This dataset includes information and extracted data from 86 previously published studies that experimented with algae growth in recycled cultivation water. The Data Extraction Protocol includes descriptions of all variables (column headers) and how each variable was collected/measured/decided, if applicable. <br>For more information, please see the publication & additional supplementary information that accompanies this dataset:Loftus, S.E. and Johnson, Z.I. "Cross-study analysis of factors affecting algae cultivation in recycled medium," Algal Research (2017) (<i>in press</i>).
DOI: 10.6084/m9.figshare.4311695
title: Supplementary tables for "Estimating local attributable cost of Clostridium difficile infection using machine learning on electronic medical record data"

description: Tables of excluded variables and coefficients for a model of propensity for C. difficile infection based on electronic medical record data from within 24 hours of admission
DOI: 10.6084/m9.figshare.4311695.v1
title: Supplementary tables for "Estimating local attributable cost of Clostridium difficile infection using machine learning on electronic medical record data"

description: Tables of excluded variables and coefficients for a model of propensity for C. difficile infection based on electronic medical record data from within 24 hours of admission
DOI: 10.6084/m9.figshare.4309673
title: Dataset for the paper Automatic Evaluation of Faces

description: Dataset for the paper "Automatic evaluation of faces predict mayor election outcomes in Brazil"
DOI: 10.6084/m9.figshare.4309673.v1
title: Dataset for the paper Automatic Evaluation of Faces

description: Dataset for the paper "Automatic evaluation of faces predict mayor election outcomes in Brazil"
DOI: 10.6084/m9.figshare.4309652
title: Drosophila Island Assay

description: Drosophila Island Assay Fiji macro and R script
DOI: 10.6084/m9.figshare.4309652.v1
title: Drosophila Island Assay

description: Drosophila Island Assay Fiji macro and R script
DOI: 10.6084/m9.figshare.4309586
title: PRYER STG 2016.xls

description: Aerial cover estimates of four species of native perennial grasses and four species of non-native annual grasses, seeded either together or with the natives having one week or one year priority, at three different sites in northern California, in each of five years of initiation (2011-2015).
DOI: 10.6084/m9.figshare.4309586.v1
title: PRYER STG 2016.xls

description: Aerial cover estimates of four species of native perennial grasses and four species of non-native annual grasses, seeded either together or with the natives having one week or one year priority, at three different sites in northern California, in each of five years of initiation (2011-2015).
DOI: 10.6084/m9.figshare.4309616
title: DFT study of the ring-closing reaction by carbonate nucleophilic attack of 3-N-methylthymidine derivatives, displacing a tosyl leaving group

description: Data to support article:<br><br>CO<sub>2</sub>-driven stereochemical inversion of sugars to create thymidine-based polycarbonates by ring-opening polymerisation<br><br>DOI: 10.6084/m9.figshare.4309616<br><br><br>Authors:<br><br> Georgina L. Gregory,<sup>a</sup> Elizabeth M. Hierons,<sup>a</sup> Gabriele Kociok-Köhn,<sup>a</sup> Ram Sharma<sup>b</sup> and Antoine Buchard<sup>a,</sup>* <sup>a</sup> Department of Chemistry, University of Bath, Bath BA2 7AY <sup>b</sup> Department of Chemical Engineering, University of Bath, Bath BA2 7AY <br>DFT study: - DFT optimised geometries and computed free enthalpies of local minima (intermediates) and local maxima (transition states) were used to investigate the mechanism of ring-closing by intramolecular carbonate nucleophilic attack of 3-N-methylthymidine derivatives, displacing a tosyl leaving group, so as to evaluate<b> </b>the formation of cyclic carbonate monomers trans-<b>1</b> and cis-<b>1</b> by this mechanism.<b><sub><br></sub></b> Protocol: <br>rwB97XD/6-31+G(d)/cpcm=acetonitrile/T=298.15K Content: - Gaussian09 rev D.01 output files- Ring_Closing_SN2type.pdf, illustrating the calculations made and summarising the enthalpies computed.
DOI: 10.6084/m9.figshare.4309616.v1
title: DFT study of the ring-closing reaction by carbonate nucleophilic attack of 3-N-methylthymidine derivatives, displacing a tosyl leaving group

description: Data to support article:<br><br>CO<sub>2</sub>-driven stereochemical inversion of sugars to create thymidine-based polycarbonates by ring-opening polymerisation<br><br>DOI: 10.6084/m9.figshare.4309616<br><br><br>Authors:<br><br> Georgina L. Gregory,<sup>a</sup> Elizabeth M. Hierons,<sup>a</sup> Gabriele Kociok-Köhn,<sup>a</sup> Ram Sharma<sup>b</sup> and Antoine Buchard<sup>a,</sup>* <sup>a</sup> Department of Chemistry, University of Bath, Bath BA2 7AY <sup>b</sup> Department of Chemical Engineering, University of Bath, Bath BA2 7AY <br>DFT study: - DFT optimised geometries and computed free enthalpies of local minima (intermediates) and local maxima (transition states) were used to investigate the mechanism of ring-closing by intramolecular carbonate nucleophilic attack of 3-N-methylthymidine derivatives, displacing a tosyl leaving group, so as to evaluate<b> </b>the formation of cyclic carbonate monomers trans-<b>1</b> and cis-<b>1</b> by this mechanism.<b><sub><br></sub></b> Protocol: <br>rwB97XD/6-31+G(d)/cpcm=acetonitrile/T=298.15K Content: - Gaussian09 rev D.01 output files- Ring_Closing_SN2type.pdf, illustrating the calculations made and summarising the enthalpies computed.
DOI: 10.6084/m9.figshare.4309547
title: Metadata and Data for https://doi.org/10.1128/mSystems.00124-16

description: <b>Citation:</b>Hogle SL, Brahamsha B, Barbeau KA. Direct heme uptake by phytoplankton-associated <i>Roseobacter</i> bacteria. <i>mSystems</i>. 2016. 2(1):e00124-16. DOI: 10.1128/mSystems.00124-16<br><br><b>Data availability:</b>Raw sequence data for reproducing all analyses can be obtained from JGI IMG Integrated Microbial Genomes & Microbiomes database (also see Dataset S1 for accession numebrs) and the NCBI Gene Expression Omnibus (GEO accession GSE65189 and see Dataset S2). For user convenience R scripts for reproducing the transcriptomes processing analysis are available here.<br><b>Description:</b>In this study we investigated the molecular basis of heme transport, an organic iron acquisition pathway, in phytoplankton-associated <i>Roseobacter</i> bacteria and explored the potential role of bacterial heme uptake in the marine environment. We searched 153 <i>Roseobacter</i> genomes and found that nearly half contained putative complete heme transport systems with near identical synteny. We also examined a publicly available co-culture transcriptome and found that the <i>Roseobacter</i> strain, <i>Sulfitobacter</i> sp. SA11, strongly downregulated a putative heme transport gene cluster during mutualistic growth with a marine diatom suggesting that the regulation of heme transport might be influenced by host cues. We generated a mutant of the phytoplankton-associated <i>Roseobacter</i> strain <i>Ruegeria</i> sp. TM1040 by insertionally inactivating its homolog of the TonB-dependent heme transporter <i>hmuR</i> and confirmed the role of this gene in the uptake of heme and hemoproteins. We performed competition experiments between iron-limited wild type and mutant TM1040 strains and found that the wild type maintains a growth advantage when competing with the mutant for iron compounds derived solely from lysed diatom cells. Heme transport systems were largely absent from public marine metagenomes and metatranscriptomes, suggesting that marine bacteria with the potential for heme transport likely have small standing populations in the free-living bacterioplankton. Heme transport is likely a useful strategy for phytoplankton-associated bacteria because it provides direct access to components of the host intracellular iron pool after lysis.
DOI: 10.6084/m9.figshare.4309559
title: DFT study of the ring-closing reaction by nucleophilic attack of the free hydroxyl group at the tosylated carbonate of 3-N-methyl thymidine, mannose and glucose derivatives

description: Data to support article:<br><br>CO<sub>2</sub>-driven stereochemical inversion of sugars to create thymidine-based polycarbonates by ring-opening polymerisation<br><br>DOI: 10.6084/m9.figshare.4309559<br><br><br>Authors:<br><br> Georgina L. Gregory,<sup>a</sup> Elizabeth M. Hierons,<sup>a</sup> Gabriele Kociok-Köhn,<sup>a</sup> Ram Sharma<sup>b</sup> and Antoine Buchard<sup>a,</sup>* <sup>a</sup> Department of Chemistry, University of Bath, Bath BA2 7AY <sup>b</sup> Department of Chemical Engineering, University of Bath, Bath BA2 7AY <br>DFT study: - DFT optimised geometries and computed free enthalpies of local minima (intermediates) and local maxima (transition states) were used to investigate the mechanism of ring-closing by nucleophilic attack of the free hydroxyl group at the tosylated carbonate of derivatives from N-methylthymidine, D-mannose (from Gregory et al., Macromolecules 2016, 49, 7165) and D-glucose (from Mikami et al., J. Am. Chem. Soc. 2013, 135, 6826), so as to evaluate<b> </b>the formation of cyclic carbonate monomer trans-<b>1</b>.<b><sub><br></sub></b> Protocol: <br>rwB97XD/6-31+G(d)/cpcm=acetonitrile/T=298.15K Content: - Gaussian09 rev D.01 output files- Ring_Closing_NucAddElim.pdf, illustrating the calculations made and summarising the enthalpies computed.
DOI: 10.6084/m9.figshare.4309559.v1
title: DFT study of the ring-closing reaction by nucleophilic attack of the free hydroxyl group at the tosylated carbonate of 3-N-methyl thymidine, mannose and glucose derivatives

description: Data to support article:<br><br>CO<sub>2</sub>-driven stereochemical inversion of sugars to create thymidine-based polycarbonates by ring-opening polymerisation<br><br>DOI: 10.6084/m9.figshare.4309559<br><br><br>Authors:<br><br> Georgina L. Gregory,<sup>a</sup> Elizabeth M. Hierons,<sup>a</sup> Gabriele Kociok-Köhn,<sup>a</sup> Ram Sharma<sup>b</sup> and Antoine Buchard<sup>a,</sup>* <sup>a</sup> Department of Chemistry, University of Bath, Bath BA2 7AY <sup>b</sup> Department of Chemical Engineering, University of Bath, Bath BA2 7AY <br>DFT study: - DFT optimised geometries and computed free enthalpies of local minima (intermediates) and local maxima (transition states) were used to investigate the mechanism of ring-closing by nucleophilic attack of the free hydroxyl group at the tosylated carbonate of derivatives from N-methylthymidine, D-mannose (from Gregory et al., Macromolecules 2016, 49, 7165) and D-glucose (from Mikami et al., J. Am. Chem. Soc. 2013, 135, 6826), so as to evaluate<b> </b>the formation of cyclic carbonate monomer trans-<b>1</b>.<b><sub><br></sub></b> Protocol: <br>rwB97XD/6-31+G(d)/cpcm=acetonitrile/T=298.15K Content: - Gaussian09 rev D.01 output files- Ring_Closing_NucAddElim.pdf, illustrating the calculations made and summarising the enthalpies computed.