cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.1613387.v1
title: Data for paper --Collapse of corroded pipelines under combined tension and external pressure

description: The data presented here is corresponding to the paper titled "Collapse of corroded pipelines under combined tension and external pressure"
DOI: 10.6084/m9.figshare.1613398.v3
title: E.coli type I-E CRISPR spacers obtained by Illumina seq

description: E.coli type I-E CRISPR spacers obtained by Illumina seq from mammoth and elephant interstinal samples
DOI: 10.6084/m9.figshare.1613398.v4
title: E.coli type I-E CRISPR spacers obtained by Illumina seq from mammoth host

description: <br>E.coli type I-E CRISPR spacers obtained by Illumina seq from mammoth host
DOI: 10.6084/m9.figshare.1613327
title: Toward the understanding of the molecular basis for the inhibition of COX-1 and COX-2 by phenolic compounds present in Uruguayan propolis and grape pomace

description: Propolis and grape pomace have significant amounts of phenols which can take part in anti-inflammatory mechanisms. As the cyclooxygenases 1 and 2 (COX-1 and COX-2) are involved in said mechanisms, the possibility for a selective inhibition of COX-2 was analyzed <i>in vitro</i> and <i>in silico</i>. Propolis and grape pomace from Uruguayan species were collected, extracted in hydroalcoholic mixture and analyzed. Based on phenols previously identified, and taking as reference the crystallographic structures of COX-1 and COX-2 in complex with the commercial drug Celecoxib, a molecular docking procedure was devised to adjust 123 phenolic molecular models at the enzyme-binding sites. The most important results of this work are that the extracts have an overall inhibition activity very similar in COX-1 and COX-2, i.e. they do not possess selective inhibition activity for COX-2. Nevertheless, 10 compounds of the phenolic database turned out to be more selective and 94 phenols resulted with similar selectivity than Celecoxib, an outcome that accounts for the overall experimental inhibition measures. Binding site environment observations showed increased polarity in COX-2 as compared with COX-1, suggesting that polarity is the key for selectivity. Accordingly, the screening of molecular contacts pointed to the residues: Arg106, Gln178, Leu338, Ser339, Tyr341, Tyr371, Arg499, Ala502, Val509, and Ser516, which would explain, at the atomic level, the anti-inflammatory effect of the phenolic compounds. Among them, Gln178 and Arg499 appear to be essential for the selective inhibition of COX-2.
DOI: 10.6084/m9.figshare.1613398.v6
title: Dynamics of Escherichia coli type I-E CRISPR spacers

description: E coli typeI-E and Salmonella I-E spacer datasets<br>E.coli type I-E CRISPR spacers obtained by Illumina seq from mammoth hostreconstructed array fragments<br>
DOI: 10.6084/m9.figshare.1613398.v5
title: Dynamics of Escherichia coli type I-E CRISPR spacers

description: E coli typeI-E and Salmonella I-E spacer datasets<br>E.coli type I-E CRISPR spacers obtained by Illumina seq from mammoth host
DOI: 10.6084/m9.figshare.1613327.v2
title: Toward the understanding of the molecular basis for the inhibition of COX-1 and COX-2 by phenolic compounds present in Uruguayan propolis and grape pomace

description: Propolis and grape pomace have significant amounts of phenols which can take part in anti-inflammatory mechanisms. As the cyclooxygenases 1 and 2 (COX-1 and COX-2) are involved in said mechanisms, the possibility for a selective inhibition of COX-2 was analyzed <i>in vitro</i> and <i>in silico</i>. Propolis and grape pomace from Uruguayan species were collected, extracted in hydroalcoholic mixture and analyzed. Based on phenols previously identified, and taking as reference the crystallographic structures of COX-1 and COX-2 in complex with the commercial drug Celecoxib, a molecular docking procedure was devised to adjust 123 phenolic molecular models at the enzyme-binding sites. The most important results of this work are that the extracts have an overall inhibition activity very similar in COX-1 and COX-2, i.e. they do not possess selective inhibition activity for COX-2. Nevertheless, 10 compounds of the phenolic database turned out to be more selective and 94 phenols resulted with similar selectivity than Celecoxib, an outcome that accounts for the overall experimental inhibition measures. Binding site environment observations showed increased polarity in COX-2 as compared with COX-1, suggesting that polarity is the key for selectivity. Accordingly, the screening of molecular contacts pointed to the residues: Arg106, Gln178, Leu338, Ser339, Tyr341, Tyr371, Arg499, Ala502, Val509, and Ser516, which would explain, at the atomic level, the anti-inflammatory effect of the phenolic compounds. Among them, Gln178 and Arg499 appear to be essential for the selective inhibition of COX-2.
DOI: 10.6084/m9.figshare.1613327.v1
title: Towards the understanding of the molecular basis for the inhibition of COX-1 and COX-2 by phenolic compounds present in Uruguayan propolis and grape pomace

description: Propolis and grape pomace have significant amounts of phenols which can take part in anti-inflammatory mechanisms. As the cyclooxygenases 1 and 2 (COX-1 and COX-2) are involved in said mechanisms, the possibility for a selective inhibition of COX-2 was analyzed <i>in vitro</i> and <i>in silico</i>.Propolis and grape pomace from Uruguayan species were collected, extracted in hydroalcoholic mixture and analyzed. Based on phenols previously identified, and taking as reference the crystallographic structures of COX-1 and COX-2 in complex with the commercial drug Celecoxib, a molecular docking procedure was devised to adjust 123 phenolic molecular models at the enzyme binding sites.The most important results of this work are that the extracts have an overall inhibition activity very similar in COX-1 and COX-2, i.e. they do not possess selective inhibition activity for COX-2. Nevertheless, 10 compounds of the phenolic database turned out to be more selective and 94 phenols resulted with similar selectivity than Celecoxib, an outcome that accounts for the overall experimental inhibition measures. Binding site environment observations showed increased polarity in COX-2 as compared with COX-1, suggesting that polarity is the key for selectivity. Accordingly, the screening of molecular contacts pointed to the residues: Arg106, Gln178, Leu338, Ser339, Tyr341, Tyr371, Arg499, Ala502, Val509 and Ser516, which would explain, at the atomic level, the anti-inflammatory effect of the phenolic compounds. Among them, Gln178 and Arg499 appear to be essential for the selective inhibition of COX-2.
DOI: 10.6084/m9.figshare.1613319
title: Cell phone-generated radio frequency electromagnetic field effects on the locomotor behaviors of the fishes <i>Poecilia reticulata</i> and <i>Danio rerio</i>

description: <i>Purpose</i>: The locomotor behavior of small fish was characterized under a cell phone-generated radio frequency electromagnetic field (RF EMF).<i>Materials and methods</i>: The trajectory of movement of 10 pairs of guppy (<i>Poecilia reticulate</i>) and 15 pairs of Zebrafish (<i>Danio rerio</i>) in a fish tank was recorded and tracked under the presence of a cell phone-generated RF EMF. The measures were based on spatial and temporal distributions. A time-series trajectory was utilized to emphasize the dynamic nature of locomotor behavior. Fish movement was recorded in real-time. Their spatial, velocity, turning angle and sinuosity distribution were analyzed in terms of <i>F</i>(<i>v,x</i>), <i>P</i>[<i>n</i>(<i>x,t</i>)], <i>P</i>(<i>v</i>), <i>F</i> (θ) and <i>F</i>(<i>s</i>), respectively. In addition, potential temperature elevation caused by a cellular phone was also examined.<i>Results</i>: We demonstrated that a cellular phone-induced temperature elevation was not relevant, and that our measurements reflected RF EMF-induced effects on the locomotor behavior of <i>Poecilia reticulata</i> and <i>Danio rerio</i>. Fish locomotion was observed under normal conditions, in the visual presence of a cell phone, after feeding, and under starvation. Fish locomotor behavior was random both in normal conditions and in the presence of an off-signaled cell phone. However, there were significant changes in the locomotion of the fish after feeding under the RF EMF.<i>Conclusions</i>: The locomotion of the fed fish was affected in terms of changes in population and velocity distributions under the presence of the RF EMF emitted by the cell phone. There was, however, no significant difference in angular distribution.
DOI: 10.6084/m9.figshare.1613319.v1
title: Cell phone-generated radio frequency electromagnetic field effects on the locomotor behaviors of the fishes <i>Poecilia reticulata</i> and <i>Danio rerio</i>

description: <i>Purpose</i>: The locomotor behavior of small fish was characterized under a cell phone-generated radio frequency electromagnetic field (RF EMF).<i>Materials and methods</i>: The trajectory of movement of 10 pairs of guppy (<i>Poecilia reticulate</i>) and 15 pairs of Zebrafish (<i>Danio rerio</i>) in a fish tank was recorded and tracked under the presence of a cell phone-generated RF EMF. The measures were based on spatial and temporal distributions. A time-series trajectory was utilized to emphasize the dynamic nature of locomotor behavior. Fish movement was recorded in real-time. Their spatial, velocity, turning angle and sinuosity distribution were analyzed in terms of <i>F</i>(<i>v,x</i>), <i>P</i>[<i>n</i>(<i>x,t</i>)], <i>P</i>(<i>v</i>), <i>F</i> (θ) and <i>F</i>(<i>s</i>), respectively. In addition, potential temperature elevation caused by a cellular phone was also examined.<i>Results</i>: We demonstrated that a cellular phone-induced temperature elevation was not relevant, and that our measurements reflected RF EMF-induced effects on the locomotor behavior of <i>Poecilia reticulata</i> and <i>Danio rerio</i>. Fish locomotion was observed under normal conditions, in the visual presence of a cell phone, after feeding, and under starvation. Fish locomotor behavior was random both in normal conditions and in the presence of an off-signaled cell phone. However, there were significant changes in the locomotion of the fish after feeding under the RF EMF.<i>Conclusions</i>: The locomotion of the fed fish was affected in terms of changes in population and velocity distributions under the presence of the RF EMF emitted by the cell phone. There was, however, no significant difference in angular distribution.
DOI: 10.6084/m9.figshare.1613314
title: Leonardo da Vinci: flux, spirals, and the aesthetics of destruction

description: The Deluge drawings of Leonardo as a unity of artistic and scientific subjects as related to the reception of Lucretius in the Renaissance
DOI: 10.6084/m9.figshare.1613314.v1
title: Leonardo da Vinci: flux, spirals, and the aesthetics of destruction

description: The Deluge drawings of Leonardo as a unity of artistic and scientific subjects as related to the reception of Lucretius in the Renaissance
DOI: 10.6084/m9.figshare.1613293
title: Anvio 1.2.2

description: OSX installer for anvi'o v1.2.2
DOI: 10.6084/m9.figshare.1613293.v1
title: Anvio 1.2.2

description: OSX installer for anvi'o v1.2.2
DOI: 10.6084/m9.figshare.1613288
title: Altmetric's Top 100 articles – 2015

description: Altmetric's list of the top 100 scientific articles ranked by online attention in 2015.
DOI: 10.6084/m9.figshare.1613289
title: Morphological and genetic variability of assemblages of <i>Cyclotella ocellata</i> Pantocsek/<i>C. comensis</i> Grunow complex (Bacillariophyta, Thalassiosirales)

description: Centric diatom taxa in the <i>Cyclotella ocellata</i> and <i>C. comensis</i> complexes show high morphological variability and often apparently continuous morphological transitions. In this study, we investigated natural assemblages of the <i>C. ocellata/C. comensis</i> complex from Hungarian and Croatian lakes and from Turkish streams using morphological and molecular methods. The studied assemblages contained cells with morphologies resembling <i>C. ocellata</i> as well as other, closely related, species: <i>C. comensis</i>, <i>C. pseudocomensis</i>, <i>C. costei</i>, and <i>C. trichnoidea</i>. The goal of our paper was to assess whether the observed morphological differences were due to intraspecific variability or suggest the existence of several, putatively distinct species.Ten morphometric characters were measured, which, either individually, or in pairs, did not differentiate the nominal taxa in our assemblages. However, multivariate discriminant analysis has revealed a group including <i>C. ocellata</i> and <i>C. trichonidea</i> morphologies could be separated from another containing <i>C. comensis</i>, <i>C. pseudocomensis</i> and <i>C. costei</i>.A nuclear (18S rDNA) and a chloroplast (<i>rbc</i>L) gene were amplified and partially sequenced from environmental DNA or from isolated cells. The sequences showed little variability among the assemblages and nominal species. Although general congruence of molecular and morphometric separation supports the species level separation of <i>C. ocellata/trichonidea</i> from the probably conspecific <i>C. comensis</i>/<i>pseudocomensis</i>/<i>costei</i>, sequence divergences between the groups are in the same range as within them, so that a conspecificity of all four taxa cannot be unequivocally excluded.
DOI: 10.6084/m9.figshare.1613287
title: Daims VetMed metagenome dataset

description: R formated metagenome dataset.
DOI: 10.6084/m9.figshare.1613289.v1
title: Morphological and genetic variability of assemblages of <i>Cyclotella ocellata</i> Pantocsek/<i>C. comensis</i> Grunow complex (Bacillariophyta, Thalassiosirales)

description: Centric diatom taxa in the <i>Cyclotella ocellata</i> and <i>C. comensis</i> complexes show high morphological variability and often apparently continuous morphological transitions. In this study, we investigated natural assemblages of the <i>C. ocellata/C. comensis</i> complex from Hungarian and Croatian lakes and from Turkish streams using morphological and molecular methods. The studied assemblages contained cells with morphologies resembling <i>C. ocellata</i> as well as other, closely related, species: <i>C. comensis</i>, <i>C. pseudocomensis</i>, <i>C. costei</i>, and <i>C. trichnoidea</i>. The goal of our paper was to assess whether the observed morphological differences were due to intraspecific variability or suggest the existence of several, putatively distinct species.Ten morphometric characters were measured, which, either individually, or in pairs, did not differentiate the nominal taxa in our assemblages. However, multivariate discriminant analysis has revealed a group including <i>C. ocellata</i> and <i>C. trichonidea</i> morphologies could be separated from another containing <i>C. comensis</i>, <i>C. pseudocomensis</i> and <i>C. costei</i>.A nuclear (18S rDNA) and a chloroplast (<i>rbc</i>L) gene were amplified and partially sequenced from environmental DNA or from isolated cells. The sequences showed little variability among the assemblages and nominal species. Although general congruence of molecular and morphometric separation supports the species level separation of <i>C. ocellata/trichonidea</i> from the probably conspecific <i>C. comensis</i>/<i>pseudocomensis</i>/<i>costei</i>, sequence divergences between the groups are in the same range as within them, so that a conspecificity of all four taxa cannot be unequivocally excluded.
DOI: 10.6084/m9.figshare.1613285
title: Daims MBR metagenome dataset

description: R formated metagenome dataset.
DOI: 10.6084/m9.figshare.1613286
title: Effects of trypanosomatids and gastrointestinal parasites on coatis of the Brazilian Pantanal

description: Hematological, parasitological, and body condition data for male and female coatis (Procyonidae: Nasua nasua) captured during the reproductive and non-reproductive seasons in the Brazilian Pantanal region.
DOI: 10.6084/m9.figshare.1613286.v1
title: Effects of trypanosomatids and gastrointestinal parasites on coatis of the Brazilian Pantanal

description: Hematological, parasitological, and body condition data for male and female coatis (Procyonidae: Nasua nasua) captured during the reproductive and non-reproductive seasons in the Brazilian Pantanal region.
DOI: 10.6084/m9.figshare.1613277
title: Daims ENR4 metagenome dataset

description: R formated metagenome dataset.
DOI: 10.6084/m9.figshare.1613264
title: Datafiles for Strong relationships in acid-base chemistry

description: These are 76 simple text files with extension dat
DOI: 10.6084/m9.figshare.1613282
title: Daims ENR6 metagenome dataset

description: R formated metagenome dataset.
DOI: 10.6084/m9.figshare.1613284
title: Daims GWW metagenome dataset

description: R formated metagenome dataset.
DOI: 10.6084/m9.figshare.1613266
title: Handling data files

description: R script to handle the dat files given the names in LL.dat
DOI: 10.6084/m9.figshare.1613277.v1
title: Daims ENR4 metagenome dataset

description: R formated metagenome dataset.
DOI: 10.6084/m9.figshare.1613264.v2
title: Datafiles for Strong relationships in acid-base chemistry

description: These are 76 simple text files with extension dat
DOI: 10.6084/m9.figshare.1613266.v2
title: Handling data files

description: R script to handle the dat files given the names in LL.dat
DOI: 10.6084/m9.figshare.1613284.v2
title: Daims GWW metagenome dataset

description: R formated metagenome dataset.
DOI: 10.6084/m9.figshare.1613260.v1
title: The assembly line worker assignment and balancing problem with stochastic worker availability

description: Assembly lines can be employed successfully in sheltered work centres to better include persons with disabilities in the labour market as well as to improve production efficiency. The optimal assignment of a heterogeneous workforce is known as the assembly line worker assignment and balancing problem (ALWABP). These assembly lines are characterised not only by a heterogeneous workforce, but also by high levels of absenteeism, which makes it more difficult to obtain stable and efficient line balancing solutions. In this paper, an extension of the ALWABP to minimise the expected cycle time under uncertain worker availability is proposed. We model this problem as a two-stage mixed integer program, and propose local search heuristics for solving it. Computational experiments show that stochastic modelling can help to improve the line’s efficiency and that the proposed heuristics produce good results for instances of practical size.
DOI: 10.6084/m9.figshare.1613284.v1
title: Daims GWW metagenome dataset.

description: R formated metagenome dataset.
DOI: 10.6084/m9.figshare.1613264.v1
title: PTID52641-16942.dat

description: These are 76 simple text files with extension dat
DOI: 10.6084/m9.figshare.1613266.v1
title: file-handling.R

description: R script to handle the dat files given the names in LL.dat
DOI: 10.6084/m9.figshare.1613256
title: data of microplastic abundance and mass from Figure 3 of Van Sebille et al (2015, ERL) paper

description: Data files of the data of microplastic abundance and mass from Figure 3 of the Van Sebille et al (2015, Environmental Research Letters, doi:10.1088/1748-9326/10/12/124006) paperFigure 3a: maximenkomodel_abundance.csvFigure 3b: maximenkomodel_mass.csvFigure 3c: lebretonmodel_abundance.csvFigure 3d: lebretonmodel_mass.csvFigure 3e: vansebillemodel_abundance.csvFigure 3f: vansebillemodel_mass.csvAll these data sets are in either #/km2 or in g/km2. Use the area.csv (units in km2/gridcell) file to convert to #/gridcell or g/gridcell. <br>Longitudes (in degrees E) and latitudes of the cell centres are also available for download; note that due to interpolation issues there are values for both 0E and 360E, in the first and last column of the mass and abundance files respectively. Sum these to get the distribution at 0E.<br><br>
DOI: 10.6084/m9.figshare.1613244
title: FDI in India during Globalization Period

description: The main object of this paper is to study the changing structure and direction of India's foreign direct Investment during globalization period. It is well known that FDI can complement local development efforts in a number of ways, including boosting export competitiveness; generating employment and strengthening the skills base; enhancing technological capabilities and increasing financial resources for development. The<br>world foreign direct investment (FDI) has been accounted US $ 386140 million in 1996 to US $ 1114189 million in 2009 and India accounted 2525 millions of US Dollars in 1996 to 34613 millions of US Dollars in 2009.
DOI: 10.6084/m9.figshare.1613244.v1
title: FDI in India during Globalization Period

description: The main object of this paper is to study the changing structure and direction of India's foreign direct Investment during globalization period. It is well known that FDI can complement local development efforts in a number of ways, including boosting export competitiveness; generating employment and strengthening the skills base; enhancing technological capabilities and increasing financial resources for development. The<br>world foreign direct investment (FDI) has been accounted US $ 386140 million in 1996 to US $ 1114189 million in 2009 and India accounted 2525 millions of US Dollars in 1996 to 34613 millions of US Dollars in 2009.
DOI: 10.6084/m9.figshare.1613256.v1
title: data of microplastic abundance and mass from Figure 3 of Van Sebille et al (2015, ERL) paper

description: csv files of the data of microplastic abundance and mass from Figure 3 of the Van Sebille et al (2015, ERL) paper
DOI: 10.6084/m9.figshare.1612460
title: A new method for identifying the Pacific-South American pattern and its influence on regional climate variability: supplementary metadata

description: This page contains supplementary material relating to the following paper: Irving D, Simmonds I (2016). A new method for identifying the Pacific-South American pattern and its influence on regional climate variability. <i>Journal of Climate</i>. 29, 6109-6125. doi:10.1175/JCLI-D-15-0843.1 In particular, it contains metadata files (.met) for each of the figures in that paper, outlining the history of command line entries that were executed from initial data download right up to the generation of the figure. A snapshot of the code repository referred to in those .met files is also included (github-climate-analysis.zip), however readers are encouraged to view that code at the GitHub repository linked to below instead. It should be noted that it is my daily repository, meaning there is code in there that does not directly relate to the paper - the .met files explain which code is relevant. A link is also included to a live online draft of the paper. The motivation for this approach to publishing reproducible computational research is outlined at: Irving D (2016). A minimum standard for publishing computational results in the weather and climate sciences. <i>Bulletin of the American Meteorological Society</i>. 97, 1149-1158. doi:10.1175/BAMS-D-15-00010.1.
DOI: 10.6084/m9.figshare.1612484
title: Exploring the Chemical Space of Influenza Neuraminidase Inhibitors

description: Supplementary data for the article entitled <i>"Exploring the chemical space of influenza neuraminidase inhibitors"</i>.The following files are provided herein:<br>- Data set of inhibitors against neuraminidase from Influenza types A and B (XLSX file format)<br>- Chemical structures of enumerated ligands for inhibitors against neuraminidase from Influenza types A and B (SDF file format)<br>- Chemical structures of FDA approved drugs for combating Influenza virus