cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.1577564
title: The LONI Pipeline. Survey information on FragFlow fragment usefulness

description: The RAR file contains the results of the survey done to three different users of the LONI Pipeline regarding the usefulness of the proposed FragFlow fragments. Each response contains additional iniformation stating in which workflows the fragments were found, and a picture with their main steps.
DOI: 10.6084/m9.figshare.1577559
title: Readme:East Asian seas: a hot spot of pelagic microplastics

description: This is the readme file for data_isobe_etal.txt
DOI: 10.6084/m9.figshare.1577560
title: Data from “East Asian seas: a hot spot of pelagic microplastics”

description: Data from “East Asian seas: a hot spot of pelagic microplastics” published in Marine Pollution Bulltein(2015; http://dx.doi.org/10.1016/j.marpolbul.2015.10.042) Search "Readme:East Asian seas: a hot spot of pelagic microplastics" for the data format
DOI: 10.6084/m9.figshare.1577563
title: A randomized placebo-controlled trial of positive psychology interventions in Australia

description: In our study we attempted a partial replication of the study of Seligman, Steen, Park, and Peterson (2005) which had suggested that the web-based delivery of positive psychology exercises could, as the consequence of containing specific, powerful therapeutic ingredients, effect greater increases in happiness and greater reductions in depression than could a placebo control.Participants (n=295) were randomly allocated to one of four intervention groups referred to, in accordance with the terminology in Seligman et al. (2005) as 1: Using Signature Strengths; 2: Three Good Things; 3: Gratitude Visit; 4: Early Memories (placebo control).At the commencement of the study, participants provided basic demongraphic information (age, sex, education, income) in addition to completing a pretest on the Authentic Happiness Inventory (AHI) and the Center for Epidemiologic Studies-Depression (CES-D) scale. Participants were asked to complete intervention-related activities during the week following the pretest. Futher measurements were then made on the AHI and CESD immediately after the intervention period ('posttest') and then 1 month after the posttest (day 38), 3 months after the posttest (day 98), and 6 months after the posttest (day 189). Participants were not able to to complete a follow-up questionnaire <i>prior </i>to the time that it was due but might have completed at either at the time that it was due, or later. We recorded the date and time at which follow-up questionnaires were completed.<br>The dataset includes a code book (in PDF 1.5 and plain-text), two data files, a copy of the media-release that was used to announce the study, and a copy of all instructions given to participants. The file participant-info.csv contains basic demographic information about participants. The file ahi-cesd.csv contains scores for each item of the CES-D scale and each item of the AHI scale for all completed measurement occasions. Not all participants completed measurements on all occasions.<br>Refer to the data article in Journal of Open Psychology Data at DOI: https://doi.org/10.5334/jopd.35 for further details.<br>
DOI: 10.6084/m9.figshare.1577564.v2
title: The LONI Pipeline. Survey information on FragFlow fragment usefulness

description: The RAR file contains the results of the survey done to three different users of the LONI Pipeline regarding the usefulness of the proposed FragFlow fragments. Each response contains additional iniformation stating in which workflows the fragments were found, and a picture with their main steps.
DOI: 10.6084/m9.figshare.1577560.v1
title: Data from “East Asian seas: a hot spot of pelagic microplastics”

description: Data from “East Asian seas: a hot spot of pelagic microplastics” published in Marine Pollution Bulltein(2015; http://dx.doi.org/10.1016/j.marpolbul.2015.10.042) Search "Readme:East Asian seas: a hot spot of pelagic microplastics" for the data format
DOI: 10.6084/m9.figshare.1577554
title: prmt6.nex

description: prmt6 nexus file<br>
DOI: 10.6084/m9.figshare.1577557
title: Data_origin_Xenopus_laevis_Europe

description: This dataset contains data and supplementary information from the manuscript:'Unequal contribution of native South African phylogeographic lineages to the invasion of the African clawed frog, Xenopus laevis, in Europe'<br>authors:C. De Busschere, J. Courant, A. Herrel, R. Rebelo, D. Rödder, G.J.Measey, T. Backeljau contact:charlotte.debusschere@gmail.com Short description files: 16S.nexus<br>Nexus file generated by DnaSP Ver. 5.10.01 containing all the 16S sequences used in the manuscript. See file 'Online resource 1' for Genbank accesssion numbers and full sample information.<br>cytb.fas<br>Fasta file containing all the cytb sequences used in the manuscript. See file 'Online resource 1' for Genbank accesssion numbers and full sample information.<br>prmt6.nex<br>Nexus file generated by DnaSP Ver. 5.10.01 containing all the phased prmt6 sequences used in the manuscript. Haplotype phases were reconstructed from the raw data using the algorithm PHASE 2.1 implemented in DNAsp Ver. 5.10.01.<br>See file 'Online resource 1' for Genbank accesssion numbers and full sample information.<br>Mastl.nex<br>Nexus file generated by DnaSP Ver. 5.10.01 containing all the phased Mastl sequences used in the manuscript. Haplotype phases were reconstructed from the raw data using the algorithm PHASE 2.1 implemented in DNAsp Ver. 5.10.01. See file 'Online resource 1' for Genbank accesssion numbers and full sample information.<br>AR.nex<br>Nexus file generated by DnaSP Ver. 5.10.01 containing all the phased AR sequences used in the manuscript. Haplotype phases were reconstructed from the raw data using the algorithm PHASE 2.1 implemented in DNAsp Ver. 5.10.01.<br>See file 'Online resource 1' for Genbank accesssion numbers and full sample information.<br>Online resource 1<br>Table. 1 Overview of sample, locality and allelic information. GenBank accession numbers listed in bold correspond to sequences of previous studies.<br>Online resource 2-5<br>Fig. MP and BI tree of unique concatenated Cytb-16S haplotypes<br>Table. PCR cycle conditions<br>Table. Pairwise Population Fst values based on pairwise nucleotide differences for 16S.<br>Table. Pairwise Population Fst values based on nuclear allele frequencies.
DOI: 10.6084/m9.figshare.1577556
title: Online Resources 2-5.docx

description: online resources<br>
DOI: 10.6084/m9.figshare.1577558
title: Seabed geomorphology of the Porcupine Bank, West of Ireland

description: A new map of the seabed geomorphology on the Porcupine Bank, located at the western edge of the north-eastern Atlantic shelf west of Ireland, uses high-resolution multibeam bathymetric and backscatter data as well as numerous shallow seismic profiles to identify individual landforms. They are described based on their acoustic signature on the various datasets. The landforms comprise sharp-crested ridges, mounds and outcrops often associated with and expressing underlying bedrock topography; sand waves highlighting modern currents directions; and iceberg scours with strongly preferred orientations. The map is intended as baseline evidence to test models of the palaeoceanographic and palaeoglaciological history of the Porcupine Bank.
DOI: 10.6084/m9.figshare.1577554.v1
title: prmt6.nex

description: prmt6 nexus file<br>
DOI: 10.6084/m9.figshare.1577557.v1
title: Data_origin_Xenopus_laevis_Europe

description: This dataset contains data and supplementary information from the manuscript:'Unequal contribution of native South African phylogeographic lineages to the invasion of the African clawed frog, Xenopus laevis, in Europe'<br>authors:C. De Busschere, J. Courant, A. Herrel, R. Rebelo, D. Rödder, G.J.Measey, T. Backeljau contact:charlotte.debusschere@gmail.com Short description files: 16S.nexus<br>Nexus file generated by DnaSP Ver. 5.10.01 containing all the 16S sequences used in the manuscript. See file 'Online resource 1' for Genbank accesssion numbers and full sample information.<br>cytb.fas<br>Fasta file containing all the cytb sequences used in the manuscript. See file 'Online resource 1' for Genbank accesssion numbers and full sample information.<br>prmt6.nex<br>Nexus file generated by DnaSP Ver. 5.10.01 containing all the phased prmt6 sequences used in the manuscript. Haplotype phases were reconstructed from the raw data using the algorithm PHASE 2.1 implemented in DNAsp Ver. 5.10.01.<br>See file 'Online resource 1' for Genbank accesssion numbers and full sample information.<br>Mastl.nex<br>Nexus file generated by DnaSP Ver. 5.10.01 containing all the phased Mastl sequences used in the manuscript. Haplotype phases were reconstructed from the raw data using the algorithm PHASE 2.1 implemented in DNAsp Ver. 5.10.01. See file 'Online resource 1' for Genbank accesssion numbers and full sample information.<br>AR.nex<br>Nexus file generated by DnaSP Ver. 5.10.01 containing all the phased AR sequences used in the manuscript. Haplotype phases were reconstructed from the raw data using the algorithm PHASE 2.1 implemented in DNAsp Ver. 5.10.01.<br>See file 'Online resource 1' for Genbank accesssion numbers and full sample information.<br>Online resource 1<br>Table. 1 Overview of sample, locality and allelic information. GenBank accession numbers listed in bold correspond to sequences of previous studies.<br>Online resource 2-5<br>Fig. MP and BI tree of unique concatenated Cytb-16S haplotypes<br>Table. PCR cycle conditions<br>Table. Pairwise Population Fst values based on pairwise nucleotide differences for 16S.<br>Table. Pairwise Population Fst values based on nuclear allele frequencies.
DOI: 10.6084/m9.figshare.1577558.v2
title: Seabed geomorphology of the Porcupine Bank, West of Ireland

description: A new map of the seabed geomorphology on the Porcupine Bank, located at the western edge of the north-eastern Atlantic shelf west of Ireland, uses high-resolution multibeam bathymetric and backscatter data as well as numerous shallow seismic profiles to identify individual landforms. They are described based on their acoustic signature on the various datasets. The landforms comprise sharp-crested ridges, mounds and outcrops often associated with and expressing underlying bedrock topography; sand waves highlighting modern currents directions; and iceberg scours with strongly preferred orientations. The map is intended as baseline evidence to test models of the palaeoceanographic and palaeoglaciological history of the Porcupine Bank.
DOI: 10.6084/m9.figshare.1577559.v2
title: Readme:East Asian seas: a hot spot of pelagic microplastics

description: This is the readme file for data_isobe_etal.txt
DOI: 10.6084/m9.figshare.1577553
title: Mastl.nex

description: mastl sequences<br>
DOI: 10.6084/m9.figshare.1577556.v1
title: Online Resources 2-5.docx

description: online resources<br>
DOI: 10.6084/m9.figshare.1577559.v1
title: readme

description: This is the readme file for data_isobe_etal.txt
DOI: 10.6084/m9.figshare.1577552
title: ReadMe.txt

description: read me file<br>
DOI: 10.6084/m9.figshare.1577550
title: 16S.nexus

description: 16S sequences<br>
DOI: 10.6084/m9.figshare.1577551
title: AR.nex

description: sequences
DOI: 10.6084/m9.figshare.1577552.v1
title: ReadMe.txt

description: read me file<br>
DOI: 10.6084/m9.figshare.1577553.v1
title: Mastl.nex

description: mastl sequences<br>
DOI: 10.6084/m9.figshare.1577549
title: cytb.fas

description: cytb sequences<br>
DOI: 10.6084/m9.figshare.1577550.v1
title: 16S.nexus

description: 16S sequences<br>
DOI: 10.6084/m9.figshare.1577546
title: Melanoma Microarray Processed Datasets

description: The Zip file contains processed data generated for Network-rewiring analysis for Melanoma microarray datasets from different stages of the cancer progression.
DOI: 10.6084/m9.figshare.1577541
title: Estimating Research Data Volumes in UK HEI

description: This report provides a very simple and quick approach to making a ‘back of the envelope’ estimate of research data volumes in UK Universities Higher Education Institutions (HEI).
DOI: 10.6084/m9.figshare.1577548
title: QSAR models for antioxidant activity of new coumarin derivatives

description: This study presents 37 new antioxidant coumarin derivatives and strategies for structural modification to improve their antioxidant activities, the main ferric-reducing antioxidant power (FRAP) assay used to evaluate their antioxidant properties and the generation of validated quantitative structure–activity (antioxidant activity) relationship (QSAR) models. In an attempt to generate QSAR models, structures of all coumarin derivatives in the data set were fully optimized by semi-empirical PM6 method using SPARTAN 10 software. Descriptors were calculated by DRAGON 6.0 software. Multiple linear regression (MLR) models were developed with different training/test set combinations using QSARINS 2.2.1 software. Robustness, reliability and predictive power of the models were tested by internal and external validations. Applicability domain of the best two-descriptor model (<i>n</i><sub>TR</sub> = 30; <i>r</i><sup>2</sup> = 0.924; <i>RMSE</i><sub>TR</sub> = 0.213; <i>n</i><sub>TEST</sub> = 7; <i>r</i><sup>2</sup><sub>ext</sub> = 0.887; <i>RMSE</i><sub>ext</sub> = 0.255; <i>CCC</i><sub>ext</sub> = 0.939) was determined. Descriptors appeared in the model revealed that complexity, H-bond donor and lipophilic character are important parameters in describing the antioxidant activity. Apart from the compounds in the data set, we also designed 31 new antioxidant coumarin derivatives and predicted their antioxidant activity using the best two-descriptor model. Most of these compounds are promising antioxidants
DOI: 10.6084/m9.figshare.1577549.v1
title: cytb.fas

description: cytb sequences<br>
DOI: 10.6084/m9.figshare.1577540
title: Estimation of research data volumes in UK HEI

description: Estimation of the volumes of research data in UK HEI. This is based on several internal surveys done by UK Universities on their research holdings.
DOI: 10.6084/m9.figshare.1577540.v1
title: Estimation of research data volumes in UK HEI

description: Estimation of the volumes of research data in UK HEI. This is based on several internal surveys done by UK Universities on their research holdings.
DOI: 10.6084/m9.figshare.1577539
title: Estimation of research data volumes per researcher in UK HEI

description: Estimation of the volume of research data that exists, on average, per researcher in UK HEI. This is based on several internal surveys by UK Universities on their research data holdings.
DOI: 10.6084/m9.figshare.1577539.v1
title: Estimation of research data volumes per researcher in UK HEI

description: Estimation of the volume of research data that exists, on average, per researcher in UK HEI. This is based on several internal surveys by UK Universities on their research data holdings.
DOI: 10.6084/m9.figshare.1577541.v1
title: Estimating Research Data Volumes in UK HEI

description: This report provides a very simple and quick approach to making a ‘back of the envelope’ estimate of research data volumes in UK Universities Higher Education Institutions (HEI).
DOI: 10.6084/m9.figshare.1577548.v2
title: QSAR models for antioxidant activity of new coumarin derivatives

description: This study presents 37 new antioxidant coumarin derivatives and strategies for structural modification to improve their antioxidant activities, the main ferric-reducing antioxidant power (FRAP) assay used to evaluate their antioxidant properties and the generation of validated quantitative structure–activity (antioxidant activity) relationship (QSAR) models. In an attempt to generate QSAR models, structures of all coumarin derivatives in the data set were fully optimized by semi-empirical PM6 method using SPARTAN 10 software. Descriptors were calculated by DRAGON 6.0 software. Multiple linear regression (MLR) models were developed with different training/test set combinations using QSARINS 2.2.1 software. Robustness, reliability and predictive power of the models were tested by internal and external validations. Applicability domain of the best two-descriptor model (<i>n</i><sub>TR</sub> = 30; <i>r</i><sup>2</sup> = 0.924; <i>RMSE</i><sub>TR</sub> = 0.213; <i>n</i><sub>TEST</sub> = 7; <i>r</i><sup>2</sup><sub>ext</sub> = 0.887; <i>RMSE</i><sub>ext</sub> = 0.255; <i>CCC</i><sub>ext</sub> = 0.939) was determined. Descriptors appeared in the model revealed that complexity, H-bond donor and lipophilic character are important parameters in describing the antioxidant activity. Apart from the compounds in the data set, we also designed 31 new antioxidant coumarin derivatives and predicted their antioxidant activity using the best two-descriptor model. Most of these compounds are promising antioxidants
DOI: 10.6084/m9.figshare.1577530
title: Internationalization of scientific publishing over time: Analyzing publishers and fields differences

description: The changes in journal internationality in mainstream science using 1,398 journals and 2,557,229 papers during 1991-2014 were examined.
DOI: 10.6084/m9.figshare.1577548.v1
title: QSAR models for antioxidant activity of new coumarin derivatives

description: This study presents 37 new antioxidant coumarin derivatives and strategies for structural modification to improve their antioxidant activities, the main ferric-reducing antioxidant power (FRAP) assay used to evaluate their antioxidant properties and the generation of validated quantitative structure–activity (antioxidant activity) relationship (QSAR) models. In an attempt to generate QSAR models, structures of all coumarin derivatives in the data set were fully optimized by semi-empirical PM6 method using SPARTAN 10 software. Descriptors were calculated by DRAGON 6.0 software. Multiple linear regression (MLR) models were developed with different training/test set combinations using QSARINS 2.2.1 software. Robustness, reliability and predictive power of the models were tested by internal and external validations. Applicability domain of the best two-descriptor model (<i>n</i><sub>TR</sub> = 30; <i>r</i><sup>2</sup> = 0.924; <i>RMSE</i><sub>TR</sub> = 0.213; <i>n</i><sub>TEST</sub> = 7; <i>r</i><sup>2</sup><sub>ext</sub> = 0.887; <i>RMSE</i><sub>ext</sub> = 0.255; <i>CCC</i><sub>ext</sub> = 0.939) was determined. Descriptors appeared in the model revealed that complexity, H-bond donor and lipophilic character are important parameters in describing the antioxidant activity. Apart from the compounds in the data set, we also designed 31 new antioxidant coumarin derivatives and predicted their antioxidant activity using the best two-descriptor model. Most of these compounds are promising antioxidants
DOI: 10.6084/m9.figshare.1577452
title: Endometrial cancer cells can express fibrinogen: Immunohistochemistry and RT-PCR analysis

description: We investigated whether endometrial cancer (EC) cells can express fibrinogen. Consecutive patients treated for EC were enrolled (cases). A control group of women who had hysterectomy for benign conditions was identified in a case:control ratio of 4:1. Immunohistochemistry and reverse transcription polymerase chain reaction (RT-PCR) were performed to identify the presence of fibrinogen and the mRNA of its three chains (α, β, γ) in the tissue specimens from both cases and controls. Sixteen EC cases and 4 benign controls were included. Immunohistochemistry failed in one case of EC. In 12/15 (80%) cases versus 0 controls, a moderate-to-intense positivity for fibrinogen was observed (<i>p</i> = 0.09; OR: 32.1; 95%CI: 1.4–752.9). Six (37.5%) women among the cases versus 0 controls expressed RNA for at least one chain of fibrinogen (<i>p</i> = 0.25). All the cases (6/6, 100%) with positive RT-PCR had moderate-to-intense positive immunohistochemistry. Molecular and immunohistochemistry show that some cases of EC have the capability to express fibrinogen and the mRNA of at least one of its chains.
DOI: 10.6084/m9.figshare.1577195
title: Analysis of non-peptidic compounds as potential malarial inhibitors against <i>Plasmodial</i> cysteine proteases via integrated virtual screening workflow

description: Falcipain-2 (FP-2) and falcipain-3 (FP-3), haemoglobin-degrading enzymes in <i>Plasmodium falciparum</i>, are validated drug targets for the development of effective inhibitors against malaria. However, no commercial drug-targeting falcipains has been developed despite their central role in the life cycle of the parasites. In this work, <i>in silico</i> approaches are used to identify key structural elements that control the binding and selectivity of a diverse set of non-peptidic compounds onto FP-2, FP-3 and homologues from other <i>Plasmodium</i> species as well as human cathepsins. Hotspot residues and the underlying non-covalent interactions, important for the binding of ligands, are identified by interaction fingerprint analysis between the proteases and 2-cyanopyridine derivatives (best hits). It is observed that the size and chemical type of substituent groups within 2-cyanopyridine derivatives determine the strength of protein–ligand interactions. This research presents novel results that can further be exploited in the structure-based molecular-guided design of more potent antimalarial drugs.
DOI: 10.6084/m9.figshare.1577452.v1
title: Endometrial cancer cells can express fibrinogen: Immunohistochemistry and RT-PCR analysis

description: We investigated whether endometrial cancer (EC) cells can express fibrinogen. Consecutive patients treated for EC were enrolled (cases). A control group of women who had hysterectomy for benign conditions was identified in a case:control ratio of 4:1. Immunohistochemistry and reverse transcription polymerase chain reaction (RT-PCR) were performed to identify the presence of fibrinogen and the mRNA of its three chains (α, β, γ) in the tissue specimens from both cases and controls. Sixteen EC cases and 4 benign controls were included. Immunohistochemistry failed in one case of EC. In 12/15 (80%) cases versus 0 controls, a moderate-to-intense positivity for fibrinogen was observed (<i>p</i> = 0.09; OR: 32.1; 95%CI: 1.4–752.9). Six (37.5%) women among the cases versus 0 controls expressed RNA for at least one chain of fibrinogen (<i>p</i> = 0.25). All the cases (6/6, 100%) with positive RT-PCR had moderate-to-intense positive immunohistochemistry. Molecular and immunohistochemistry show that some cases of EC have the capability to express fibrinogen and the mRNA of at least one of its chains.
DOI: 10.6084/m9.figshare.1577176
title: Spatially-controlled complex molecules and their applications

description: The understanding of molecular structure and function is at the very heart of the chemical and molecular sciences. Experiments that allow for the creation of structurally pure samples and the investigation of their molecular dynamics and chemical function have developed tremendeously over the last few decades, although ‘there’s plenty of room at the bottom’ for better control as well as further applications. Here, we describe the use of inhomogeneous electric fields for the manipulation of neutral molecules in the gas-phase, i.e. for the separation of complex molecules according to size, structural isomer, and quantum state. For these complex molecules, all quantum states are strong-field seeking, requiring dynamic fields for their confinement. Current applications of these controlled samples are summarised and interesting future applications discussed.