cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.963339.v3
title: Species-level phylogenetic revision of the Ordovician orthide brachiopod <i>Glyptorthis</i> from North America

description: Species of the orthide brachiopod genus <i>Glyptorthis</i> occur as common constituents of Late Ordovician benthic marine faunas, particularly in Laurentia. A phylogenetic analysis of 23 North American species of <i>Glyptorthis</i> was conducted to inform a systematic revision and ascertain evolutionary relationships amongst species. Both discrete and continuous characters, from which character states were determined using statistical methods, were utilized within a maximum parsimony approach. <i>Glyptorthis maquoketensis</i> is recognized as a distinct species of <i>Glyptorthis</i> rather than a subspecies of <i>G. insculpta</i>. <i>Glyptorthis virginica</i> is herein synonymized with <i>G. uniformis</i>. Several species of <i>Glyptorthis</i> became widely distributed via dispersal events during the evolution of the clade. The revised phylogenetic topology provides structure to interpret biogeographical patterns within the genus. For example, <i>Glyptorthis insculpta</i> participated in the Late Ordovician Richmondian Invasion into the Cincinnati Basin. The recovered phylogenetic topology suggests that <i>G. insculpta</i> may have invaded the Cincinnati Basin from a low latitude subtropical region of Laurentia, such as the American mid-Continent.
DOI: 10.6084/m9.figshare.963334
title: Arctic ecosystem structure and functioning shaped by climate and herbivore body size

description: Datasets used in the manuscript <em>Arctic ecosystem structure and functioning shaped by climate and herbivore body size </em>published in Nature Climate Change. For each study sites diet matrix, abundance, production and consumption rates are avaliable.
DOI: 10.6084/m9.figshare.963339.v2
title: Species-level phylogenetic revision of the Ordovician orthide brachiopod <i>Glyptorthis</i> from North America

description: Species of the orthide brachiopod genus <i>Glyptorthis</i> occur as common constituents of Late Ordovician benthic marine faunas, particularly in Laurentia. A phylogenetic analysis of 23 North American species of <i>Glyptorthis</i> was conducted to inform a systematic revision and ascertain evolutionary relationships amongst species. Both discrete and continuous characters, from which character states were determined using statistical methods, were utilized within a maximum parsimony approach. <i>Glyptorthis maquoketensis</i> is recognized as a distinct species of <i>Glyptorthis</i> rather than a subspecies of <i>G. insculpta</i>. <i>Glyptorthis virginica</i> is herein synonymized with <i>G. uniformis</i>. Several species of <i>Glyptorthis</i> became widely distributed via dispersal events during the evolution of the clade. The revised phylogenetic topology provides structure to interpret biogeographical patterns within the genus. For example, <i>Glyptorthis insculpta</i> participated in the Late Ordovician Richmondian Invasion into the Cincinnati Basin. The recovered phylogenetic topology suggests that <i>G. insculpta</i> may have invaded the Cincinnati Basin from a low latitude subtropical region of Laurentia, such as the American mid-Continent.
DOI: 10.6084/m9.figshare.963332
title: Anion Exchange of Li<sup>+</sup>@C<sub>60</sub> Salt for Improved Solubility

description: Anion exchange of [Li<sup>+</sup>@C<sub>60</sub>]PF<sub>6</sub><sup>−</sup> salt was performed to obtain three highly soluble Li<sup>+</sup>@C<sub>60</sub> salts, namely, the trifluoromethanesulfonate (OTf<sup>−</sup>), bis(trifluoromethylsulfonyl)imide (NTf<sub>2</sub><sup>−</sup>), and tetrakis{3,5-bis(trifluoromethyl)phenyl}borate (TFPB<sup>−</sup>). We investigated the solubility of [Li<sup>+</sup>@C<sub>60</sub>]OTf<sup>−</sup>, [Li<sup>+</sup>@C<sub>60</sub>]NTf<sub>2</sub><sup>−</sup>, and [Li<sup>+</sup>@C<sub>60</sub>]TFPB<sup>−</sup> and found that, compared with [Li<sup>+</sup>@C<sub>60</sub>]PF<sub>6</sub><sup>−</sup>, the NTf<sub>2</sub> and TFPB salts had substantially higher solubility. X-ray crystal structure analysis of the TFPB salt revealed that the Li<sup>+</sup>@C<sub>60</sub> units spaced further apart because of the large anions in the crystal packing. We attribute the improved solubility of the salts to primarily the increased inter-fullerene distance of the Li<sup>+</sup>@C<sub>60</sub> cations.
DOI: 10.6084/m9.figshare.963334.v2
title: Arctic ecosystem structure and functioning shaped by climate and herbivore body size

description: Datasets used in the manuscript <em>Arctic ecosystem structure and functioning shaped by climate and herbivore body size </em>published in Nature Climate Change. For each study sites diet matrix, abundance, production and consumption rates are avaliable.
DOI: 10.6084/m9.figshare.963332.v1
title: Anion Exchange of Li<sup>+</sup>@C<sub>60</sub> Salt for Improved Solubility

description: Anion exchange of [Li<sup>+</sup>@C<sub>60</sub>]PF<sub>6</sub><sup>−</sup> salt was performed to obtain three highly soluble Li<sup>+</sup>@C<sub>60</sub> salts, namely, the trifluoromethanesulfonate (OTf<sup>−</sup>), bis(trifluoromethylsulfonyl)imide (NTf<sub>2</sub><sup>−</sup>), and tetrakis{3,5-bis(trifluoromethyl)phenyl}borate (TFPB<sup>−</sup>). We investigated the solubility of [Li<sup>+</sup>@C<sub>60</sub>]OTf<sup>−</sup>, [Li<sup>+</sup>@C<sub>60</sub>]NTf<sub>2</sub><sup>−</sup>, and [Li<sup>+</sup>@C<sub>60</sub>]TFPB<sup>−</sup> and found that, compared with [Li<sup>+</sup>@C<sub>60</sub>]PF<sub>6</sub><sup>−</sup>, the NTf<sub>2</sub> and TFPB salts had substantially higher solubility. X-ray crystal structure analysis of the TFPB salt revealed that the Li<sup>+</sup>@C<sub>60</sub> units spaced further apart because of the large anions in the crystal packing. We attribute the improved solubility of the salts to primarily the increased inter-fullerene distance of the Li<sup>+</sup>@C<sub>60</sub> cations.
DOI: 10.6084/m9.figshare.963334.v1
title: , S. J., Loreau, M. and Gravel, D. 2014. Arctic ecosystem structure and functioning shaped by climate and herbivore body size

description: Datasets used for each study sites including diet matrix, abundance, production and consumption rates.
DOI: 10.6084/m9.figshare.963322
title: First multi-locus timetree of seabreams and porgies (Percomorpha: Sparidae)

description: Sparid fishes represent one of the major radiations of predominantly temperate-water benthic fishes. Previous molecular phylogenetic studies suggested that many traditional taxonomic groups, often based on dentition characters, do not correspond to monophyletic groups, suggesting repeated convergence in trophic ecology. In spite of the rich sparid fossil record, no comprehensive, multi-locus timetree based on sparid fossils currently exists for this group. We used a supermatrix approach to assemble a dataset of five loci and 91 sparid species, and time-calibrated this new phylogeny using eight sparid fossils. Our study corroborates the non-monophyly of the traditional sparids without the inclusion of the family Centracanthidae, as well as that of many sparid genera. Based on phylogenetic comparative analyses we find robust support for a scenario of multiple radiations and suggest that these were driven by the invasion of multiple geographic regions by different lineages, as well as by the transition to different trophic ecologies.
DOI: 10.6084/m9.figshare.963322.v2
title: First multi-locus timetree of seabreams and porgies (Percomorpha: Sparidae)

description: Sparid fishes represent one of the major radiations of predominantly temperate-water benthic fishes. Previous molecular phylogenetic studies suggested that many traditional taxonomic groups, often based on dentition characters, do not correspond to monophyletic groups, suggesting repeated convergence in trophic ecology. In spite of the rich sparid fossil record, no comprehensive, multi-locus timetree based on sparid fossils currently exists for this group. We used a supermatrix approach to assemble a dataset of five loci and 91 sparid species, and time-calibrated this new phylogeny using eight sparid fossils. Our study corroborates the non-monophyly of the traditional sparids without the inclusion of the family Centracanthidae, as well as that of many sparid genera. Based on phylogenetic comparative analyses we find robust support for a scenario of multiple radiations and suggest that these were driven by the invasion of multiple geographic regions by different lineages, as well as by the transition to different trophic ecologies.
DOI: 10.6084/m9.figshare.963318
title: Provenance and tectonic setting of neoproterozoic supracrustal rocks from the Ceará Central Domain, Borborema Province (NE Brazil): constraints from geochemistry and detrital zircon ages

description: Major- and trace-element and U–Pb analyses of detrital zircons were performed on metavolcano sedimentary sequences and igneous rocks from the Ceará Central Domain (CCD) in the Borborema Province of northeastern Brazil. No significant geochemical differences were found between these rocks, which were possibly initially deposited as parts of a very large metavolcano-sedimentary sequence. Weathering in the source area was moderate, and the sediments were deposited as both sands and clays. The sources of the sediments were likely mixtures of felsic and intermediate rocks deposited predominantly in an active-margin setting with minor contributions of both continental arc and passive margin components. Three main source ages were identified: Palaeoproterozoic (~2.2 Ga), for which potential sources include the Palaeoproterozoic Madalena-Algodões Suite; early Neoproterozoic (~850 Ma), related to felsic volcanic magmatism due to continental rifting, initial phases of the Santa Quitéria Magmatic Arc, or magmatic arc systems on the margins of the Palaeoproterozoic crust; and late Neoproterozoic (~650 Ma), associated with extensive granite generation and migmatization events accompanying Santa Quitéria Arc activity. Deposition of the CCD volcanosedimentary rocks occurred shortly before regional, collision-type metamorphism accompanying the amalgamation of the São Francisco-Congo Cratons (~ 620–630 Ma).
DOI: 10.6084/m9.figshare.963322.v1
title: First multi-locus timetree of seabreams and porgies (Percomorpha: Sparidae)

description: Sparid fishes represent one of the major radiations of predominantly temperate-water benthic fishes. Previous molecular phylogenetic studies suggested that many traditional taxonomic groups, often based on dentition characters, do not correspond to monophyletic groups, suggesting repeated convergence in trophic ecology. In spite of the rich sparid fossil record, no comprehensive, multi-locus timetree based on sparid fossils currently exists for this group. We used a supermatrix approach to assemble a dataset of five loci and 91 sparid species, and time-calibrated this new phylogeny using eight sparid fossils. Our study corroborates the non-monophyly of the traditional sparids without the inclusion of the family Centracanthidae, as well as that of many sparid genera. Based on phylogenetic comparative analyses we find robust support for a scenario of multiple radiations and suggest that these were driven by the invasion of multiple geographic regions by different lineages, as well as by the transition to different trophic ecologies.
DOI: 10.6084/m9.figshare.963318.v1
title: Provenance and tectonic setting of neoproterozoic supracrustal rocks from the Ceará Central Domain, Borborema Province (NE Brazil): constraints from geochemistry and detrital zircon ages

description: Major- and trace-element and U–Pb analyses of detrital zircons were performed on metavolcano sedimentary sequences and igneous rocks from the Ceará Central Domain (CCD) in the Borborema Province of northeastern Brazil. No significant geochemical differences were found between these rocks, which were possibly initially deposited as parts of a very large metavolcano-sedimentary sequence. Weathering in the source area was moderate, and the sediments were deposited as both sands and clays. The sources of the sediments were likely mixtures of felsic and intermediate rocks deposited predominantly in an active-margin setting with minor contributions of both continental arc and passive margin components. Three main source ages were identified: Palaeoproterozoic (~2.2 Ga), for which potential sources include the Palaeoproterozoic Madalena-Algodões Suite; early Neoproterozoic (~850 Ma), related to felsic volcanic magmatism due to continental rifting, initial phases of the Santa Quitéria Magmatic Arc, or magmatic arc systems on the margins of the Palaeoproterozoic crust; and late Neoproterozoic (~650 Ma), associated with extensive granite generation and migmatization events accompanying Santa Quitéria Arc activity. Deposition of the CCD volcanosedimentary rocks occurred shortly before regional, collision-type metamorphism accompanying the amalgamation of the São Francisco-Congo Cratons (~ 620–630 Ma).
DOI: 10.6084/m9.figshare.963308
title: Quartz and calcite microfabric transitions in a pressure and temperature gradient, Sivrihisar, Turkey

description: Interlayered quartzite and marble in the southern Sivrihisar Massif, Turkey, record metamorphic conditions ranging from high-pressure/low-temperature through a Barrovian overprint from chlorite- to sillimanite-zone conditions. This sequence was exhumed under transtension, producing macroscopic constrictional fabrics (L-tectonites) during crustal thinning. Quartz microstructures consist of dynamically recrystallized aggregates in the dislocation creep regime dominated by grain boundary migration. Quartz microstructures are relatively constant across the high metamorphic gradient, and crystallographic fabric patterns transition from plane strain to constriction strain. Calcite fabrics are characterized by progressive overprinting of a columnar texture inherited from the high-pressure polymorph aragonite. In the low-temperature Barrovian domain (&lt;400 °C), shearing of calcite rods produced a very strong <i>c</i>-axis point maximum. At moderate temperature, calcite rods were partially to totally recrystallized and the strong preferred orientation maintained. At temperature &gt;500 °C and high constriction strain, marble has no crystallographic fabric, likely reflecting a transition from dislocation creep to diffusion creep. Phengite in high-pressure/low-temperature marble and quartzite yields relatively simple age spectra with Late Cretaceous (88–82 Ma) <sup>40</sup>Ar/<sup>39</sup>Ar ages. Barrovian muscovite records significantly younger ages (63–55 Ma). The transtension system and associated metamorphism may have occurred above a subduction zone in Paleocene–Eocene time as a precursor to intrusion of Eocene (~53 Ma) arc plutons.
DOI: 10.6084/m9.figshare.963306
title: Average kappa coefficient: a new measure to assess a binary test considering the losses associated with an erroneous classification

description: The weighted kappa coefficient of a binary diagnostic test (BDT) is a measure of performance of a BDT, and is a function of the sensitivity and the specificity of the diagnostic test, of the disease prevalence and the weighting index. Weighting index represents the relative loss between the false positives and the false negatives. In this study, we propose a new measure of performance of a BDT: the average kappa coefficient. This parameter is the average function of the weighted kappa coefficients and does not depend on the weighting index. We have studied three asymptotic confidence intervals (CIs) for the average kappa coefficient, Wald, logit and bias-corrected bootstrap, and we carried out some simulation experiments to study the asymptotic coverage of each of the three CIs. We have written a program in R, called ‘akcbdt’, to estimate the average kappa coefficient of a BDT. This program is available as supplementary material. The results were applied to two examples.
DOI: 10.6084/m9.figshare.963308.v1
title: Quartz and calcite microfabric transitions in a pressure and temperature gradient, Sivrihisar, Turkey

description: Interlayered quartzite and marble in the southern Sivrihisar Massif, Turkey, record metamorphic conditions ranging from high-pressure/low-temperature through a Barrovian overprint from chlorite- to sillimanite-zone conditions. This sequence was exhumed under transtension, producing macroscopic constrictional fabrics (L-tectonites) during crustal thinning. Quartz microstructures consist of dynamically recrystallized aggregates in the dislocation creep regime dominated by grain boundary migration. Quartz microstructures are relatively constant across the high metamorphic gradient, and crystallographic fabric patterns transition from plane strain to constriction strain. Calcite fabrics are characterized by progressive overprinting of a columnar texture inherited from the high-pressure polymorph aragonite. In the low-temperature Barrovian domain (&lt;400 °C), shearing of calcite rods produced a very strong <i>c</i>-axis point maximum. At moderate temperature, calcite rods were partially to totally recrystallized and the strong preferred orientation maintained. At temperature &gt;500 °C and high constriction strain, marble has no crystallographic fabric, likely reflecting a transition from dislocation creep to diffusion creep. Phengite in high-pressure/low-temperature marble and quartzite yields relatively simple age spectra with Late Cretaceous (88–82 Ma) <sup>40</sup>Ar/<sup>39</sup>Ar ages. Barrovian muscovite records significantly younger ages (63–55 Ma). The transtension system and associated metamorphism may have occurred above a subduction zone in Paleocene–Eocene time as a precursor to intrusion of Eocene (~53 Ma) arc plutons.
DOI: 10.6084/m9.figshare.963306.v1
title: Average kappa coefficient: a new measure to assess a binary test considering the losses associated with an erroneous classification

description: The weighted kappa coefficient of a binary diagnostic test (BDT) is a measure of performance of a BDT, and is a function of the sensitivity and the specificity of the diagnostic test, of the disease prevalence and the weighting index. Weighting index represents the relative loss between the false positives and the false negatives. In this study, we propose a new measure of performance of a BDT: the average kappa coefficient. This parameter is the average function of the weighted kappa coefficients and does not depend on the weighting index. We have studied three asymptotic confidence intervals (CIs) for the average kappa coefficient, Wald, logit and bias-corrected bootstrap, and we carried out some simulation experiments to study the asymptotic coverage of each of the three CIs. We have written a program in R, called ‘akcbdt’, to estimate the average kappa coefficient of a BDT. This program is available as supplementary material. The results were applied to two examples.
DOI: 10.6084/m9.figshare.963306.v3
title: Average kappa coefficient: a new measure to assess a binary test considering the losses associated with an erroneous classification

description: The weighted kappa coefficient of a binary diagnostic test (BDT) is a measure of performance of a BDT, and is a function of the sensitivity and the specificity of the diagnostic test, of the disease prevalence and the weighting index. Weighting index represents the relative loss between the false positives and the false negatives. In this study, we propose a new measure of performance of a BDT: the average kappa coefficient. This parameter is the average function of the weighted kappa coefficients and does not depend on the weighting index. We have studied three asymptotic confidence intervals (CIs) for the average kappa coefficient, Wald, logit and bias-corrected bootstrap, and we carried out some simulation experiments to study the asymptotic coverage of each of the three CIs. We have written a program in R, called ‘akcbdt’, to estimate the average kappa coefficient of a BDT. This program is available as supplementary material. The results were applied to two examples.
DOI: 10.6084/m9.figshare.963306.v2
title: Average kappa coefficient: a new measure to assess a binary test considering the losses associated with an erroneous classification

description: The weighted kappa coefficient of a binary diagnostic test (BDT) is a measure of performance of a BDT, and is a function of the sensitivity and the specificity of the diagnostic test, of the disease prevalence and the weighting index. Weighting index represents the relative loss between the false positives and the false negatives. In this study, we propose a new measure of performance of a BDT: the average kappa coefficient. This parameter is the average function of the weighted kappa coefficients and does not depend on the weighting index. We have studied three asymptotic confidence intervals (CIs) for the average kappa coefficient, Wald, logit and bias-corrected bootstrap, and we carried out some simulation experiments to study the asymptotic coverage of each of the three CIs. We have written a program in R, called ‘akcbdt’, to estimate the average kappa coefficient of a BDT. This program is available as supplementary material. The results were applied to two examples.
DOI: 10.6084/m9.figshare.963290
title: C-hexylpyrogallol[4]arene and β-cyclodextrin as directors of the mode of binding of Coumarin 153 with DNA

description: The supramolecular interaction between calf thymus DNA (ctDNA) and Coumarin 153 in the presence of β-cyclodextrin (β-CD) or C-hexylpyrogallol[4]arene (C-HPA) was studied. Inclusion complexes of Coumarin 153 with β-CD and C-HPA were characterised by infrared spectroscopy, proton nuclear magnetic resonance spectroscopy and two-dimensional rotating-frame nuclear overhauser effect spectroscopy. The inclusion complexation was further followed by steady-state and time-resolved fluorescence measurements. The influence of β-CD or C-HPA in the binding strength and binding model of C153 with ctDNA was studied by UV–visible, fluorescence and molecular modelling technique. The possible group of interaction of Coumarin 153 with DNA, β-CD and C-HPA was shown by molecular modelling technique.
DOI: 10.6084/m9.figshare.963290.v2
title: C-hexylpyrogallol[4]arene and β-cyclodextrin as directors of the mode of binding of Coumarin 153 with DNA

description: The supramolecular interaction between calf thymus DNA (ctDNA) and Coumarin 153 in the presence of β-cyclodextrin (β-CD) or C-hexylpyrogallol[4]arene (C-HPA) was studied. Inclusion complexes of Coumarin 153 with β-CD and C-HPA were characterised by infrared spectroscopy, proton nuclear magnetic resonance spectroscopy and two-dimensional rotating-frame nuclear overhauser effect spectroscopy. The inclusion complexation was further followed by steady-state and time-resolved fluorescence measurements. The influence of β-CD or C-HPA in the binding strength and binding model of C153 with ctDNA was studied by UV–visible, fluorescence and molecular modelling technique. The possible group of interaction of Coumarin 153 with DNA, β-CD and C-HPA was shown by molecular modelling technique.
DOI: 10.6084/m9.figshare.963290.v1
title: C-hexylpyrogallol[4]arene and β-cyclodextrin as directors of the mode of binding of Coumarin 153 with DNA

description: The supramolecular interaction between calf thymus DNA (ctDNA) and Coumarin 153 in the presence of β-cyclodextrin (β-CD) or C-hexylpyrogallol[4]arene (C-HPA) was studied. Inclusion complexes of Coumarin 153 with β-CD and C-HPA were characterised by infrared spectroscopy, proton nuclear magnetic resonance spectroscopy and two-dimensional rotating-frame nuclear overhauser effect spectroscopy. The inclusion complexation was further followed by steady-state and time-resolved fluorescence measurements. The influence of β-CD or C-HPA in the binding strength and binding model of C153 with ctDNA was studied by UV–visible, fluorescence and molecular modelling technique. The possible group of interaction of Coumarin 153 with DNA, β-CD and C-HPA was shown by molecular modelling technique.