cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.3493694
title: Crystal structure and cytotoxic activities of a bis(pyrrolyl-imine) gold(III) complex

description: A gold(III) complex with N,N′-ethylenebis(pyrrol-2-yl-methyleneamine) (H<sub>2</sub>pyren) was synthesized and characterized by physicochemical and spectroscopic measurements. Density functional theory (DFT) studies and cytotoxic assays were performed. Infrared, mass spectrometry, and <sup>1</sup>H, <sup>13</sup>C, and {<sup>15</sup>N,<sup>1</sup>H} nuclear magnetic resonance analyses indicate that pyren is deprotonated and gold(III) is four coordinate in a square planar environment, with the pyrrole and imine nitrogens as donors. The structure was confirmed by powder X-ray diffraction and confirmed as a minimum of the potential energy surface by DFT. Cytotoxic activity of [Au(pyren)]<sup>+</sup> was active against three tumorigenic cell lines with IC<sub>50</sub> values of 35 μM. Interaction studies with CT-DNA by fluorescence and competition with ethidium bromide (EB) showed a quenching of the emission band of DNA with a Stern–Volmer quenching constant value of (3.0 ± 0.1) × 10<sup>4</sup> M<sup>−1</sup> and a decrease in fluorescence quenching of EB-DNA system, respectively, confirming that DNA is a possible target for the complex via an intercalative binding, which was confirmed by DNA conformational changes observed with circular dichroism spectroscopy.
DOI: 10.6084/m9.figshare.3493694.v1
title: Crystal structure and cytotoxic activities of a bis(pyrrolyl-imine) gold(III) complex

description: A gold(III) complex with N,N′-ethylenebis(pyrrol-2-yl-methyleneamine) (H<sub>2</sub>pyren) was synthesized and characterized by physicochemical and spectroscopic measurements. Density functional theory (DFT) studies and cytotoxic assays were performed. Infrared, mass spectrometry, and <sup>1</sup>H, <sup>13</sup>C, and {<sup>15</sup>N,<sup>1</sup>H} nuclear magnetic resonance analyses indicate that pyren is deprotonated and gold(III) is four coordinate in a square planar environment, with the pyrrole and imine nitrogens as donors. The structure was confirmed by powder X-ray diffraction and confirmed as a minimum of the potential energy surface by DFT. Cytotoxic activity of [Au(pyren)]<sup>+</sup> was active against three tumorigenic cell lines with IC<sub>50</sub> values of 35 μM. Interaction studies with CT-DNA by fluorescence and competition with ethidium bromide (EB) showed a quenching of the emission band of DNA with a Stern–Volmer quenching constant value of (3.0 ± 0.1) × 10<sup>4</sup> M<sup>−1</sup> and a decrease in fluorescence quenching of EB-DNA system, respectively, confirming that DNA is a possible target for the complex via an intercalative binding, which was confirmed by DNA conformational changes observed with circular dichroism spectroscopy.
DOI: 10.6084/m9.figshare.3493685
title: Supplementary Data - Confocal Reference Free Traction Force Microscopy - cTFM (Nature Communications, 2016)

description: This Supplementary Dataset contains the software package used to analyse cTFM images, including documentation, (cTFM_Package_NatComm.zip) as well as example images to be analysed with the cTFM software (cTFM_Examples_NatComm.zip).<br>
DOI: 10.6084/m9.figshare.3493643
title: 3D Lumbar Vertebrae Data Set

description: This data set has been generated using dried vertebrae with an image-based algorithm. It contains 86 models of lumbar vertebrae. For more details please look at the paper enclosed with this data set. It will be published in Data Science Journal. To open the files, please use MeshLab or any other 3D viewer. The files are OBJ extension. <br><br><br>
DOI: 10.6084/m9.figshare.3493643.v1
title: 3D Lumbar Vertebrae Data Set

description: This data set has been generated using dried vertebrae with an image-based algorithm. It contains 86 models of lumbar vertebrae. For more details please look at the paper enclosed with this data set. It will be published in Data Science Journal. To open the files, please use MeshLab or any other 3D viewer. The files are OBJ extension. <br><br><br>
DOI: 10.6084/m9.figshare.3493643.v2
title: 3D Lumbar Vertebrae Data Set

description: This data set has been generated using dried vertebrae with an image-based algorithm. It contains 86 models of lumbar vertebrae. For more details please look at the paper enclosed with this data set. It will be published in Data Science Journal. To open the files, please use MeshLab or any other 3D viewer. The files are OBJ extension. <br><br><br>
DOI: 10.6084/m9.figshare.3493643.v3
title: 3D Lumbar Vertebrae Data Set

description: This data set has been generated using dried vertebrae with an image-based algorithm. It contains 86 models of lumbar vertebrae. For more details please look at the paper enclosed with this data set. It will be published in Data Science Journal. To open the files, please use MeshLab or any other 3D viewer. The files are OBJ extension. <br><br><br>
DOI: 10.6084/m9.figshare.3493643.v4
title: 3D Lumbar Vertebrae Data Set

description: This data set has been generated using dried vertebrae with an image-based algorithm. It contains 86 models of lumbar vertebrae. For more details please look at the paper enclosed with this data set. It will be published in Data Science Journal. To open the files, please use MeshLab or any other 3D viewer. The files are OBJ extension. <br><br><br>
DOI: 10.21335/nmdc-410516615
title: Salmon lice LADIM V2

description: This data set constitute an archive with spatiotemporal concentrations of lice larvae in the upper 2m of the water masses during the periods from April 1th – August 30th, 2012 - 2019. The data set has been established using a combination of state-of-the-art hydrodynamic, particle tracking and lice biology models. The salmon lice advection and growth model is based on the Lagrangian Advection and Diffusion Model (LADiM; Ådlandsvik, 2019). Physical forcing fields (three-dimensional currents and hydrography) are provided by the ocean model system NorKyst800 (Albretsen et al., 2011), based on the Regional Ocean Modelling System (ROMS, www.myroms.org; Shchepetkin and McWilliams 2005; Haidvogel et al., 2008). The horizontal quadratic grid cell size is 800 x 800 m, and realistic forcing of the ocean model from atmosphere, tides, and rivers are included as described by Asplin et al. (2014) and Johnsen et al. (2014). A more detailed description of the parameterization of the model lice behaviour used in this study, can be found in Sandvik et al. (2020).
DOI: 10.6084/m9.figshare.3493637
title: Tissue shrinkage in microwave ablation of liver: an <i>ex vivo</i> predictive model

description: <b>Purpose:</b> The aim of this study was to develop a predictive model of the shrinkage of liver tissues in microwave ablation. <b>Methods:</b> Thirty-seven cuboid specimens of <i>ex vivo</i> bovine liver of size ranging from 2 cm to 8 cm were heated exploiting different techniques: 1) using a microwave oven (2.45 GHz) operated at 420 W, 500 W and 700 W for 8 to 20 min, achieving complete carbonisation of the specimens, 2) using a radiofrequency ablation apparatus (450 kHz) operated at 70 W for a time ranging from 6 to 7.5 min obtaining white coagulation of the specimens, and 3) using a microwave (2.45 GHz) ablation apparatus operated at 60 W for 10 min. Measurements of specimen dimensions, carbonised and coagulated regions were performed using a ruler with an accuracy of 1 mm. Based on the results of the first two experiments a predictive model for the contraction of liver tissue from microwave ablation was constructed and compared to the result of the third experiment. <b>Results:</b> For carbonised tissue, a linear contraction of 31 ± 6% was obtained independently of the heating source, power and operation time. Radiofrequency experiments determined that the average percentage linear contraction of white coagulated tissue was 12 ± 5%. The average accuracy of our model was determined to be 3 mm (5%). <b>Conclusions:</b> The proposed model allows the prediction of the shrinkage of liver tissues upon microwave ablation given the extension of the carbonised and coagulated zones. This may be useful in helping to predict whether sufficient tissue volume is ablated in clinical practice.
DOI: 10.6084/m9.figshare.3493637.v1
title: Tissue shrinkage in microwave ablation of liver: an <i>ex vivo</i> predictive model

description: <b>Purpose:</b> The aim of this study was to develop a predictive model of the shrinkage of liver tissues in microwave ablation. <b>Methods:</b> Thirty-seven cuboid specimens of <i>ex vivo</i> bovine liver of size ranging from 2 cm to 8 cm were heated exploiting different techniques: 1) using a microwave oven (2.45 GHz) operated at 420 W, 500 W and 700 W for 8 to 20 min, achieving complete carbonisation of the specimens, 2) using a radiofrequency ablation apparatus (450 kHz) operated at 70 W for a time ranging from 6 to 7.5 min obtaining white coagulation of the specimens, and 3) using a microwave (2.45 GHz) ablation apparatus operated at 60 W for 10 min. Measurements of specimen dimensions, carbonised and coagulated regions were performed using a ruler with an accuracy of 1 mm. Based on the results of the first two experiments a predictive model for the contraction of liver tissue from microwave ablation was constructed and compared to the result of the third experiment. <b>Results:</b> For carbonised tissue, a linear contraction of 31 ± 6% was obtained independently of the heating source, power and operation time. Radiofrequency experiments determined that the average percentage linear contraction of white coagulated tissue was 12 ± 5%. The average accuracy of our model was determined to be 3 mm (5%). <b>Conclusions:</b> The proposed model allows the prediction of the shrinkage of liver tissues upon microwave ablation given the extension of the carbonised and coagulated zones. This may be useful in helping to predict whether sufficient tissue volume is ablated in clinical practice.
DOI: 10.6084/m9.figshare.3493532
title: Bayesian Calibration of Inexact Computer Models

description: Bayesian calibration is used to study computer models in the presence of both a calibration parameter and model bias. The parameter in the predominant methodology is left undefined. This results in an issue, where the posterior of the parameter is suboptimally broad. There has been no generally accepted alternatives to date. This article proposes using Bayesian calibration, where the prior distribution on the bias is orthogonal to the gradient of the computer model. Problems associated with Bayesian calibration are shown to be mitigated through analytic results in addition to examples. Supplementary materials for this article are available online.
DOI: 10.6084/m9.figshare.3493532.v2
title: Bayesian Calibration of Inexact Computer Models

description: Bayesian calibration is used to study computer models in the presence of both a calibration parameter and model bias. The parameter in the predominant methodology is left undefined. This results in an issue, where the posterior of the parameter is suboptimally broad. There has been no generally accepted alternatives to date. This article proposes using Bayesian calibration, where the prior distribution on the bias is orthogonal to the gradient of the computer model. Problems associated with Bayesian calibration are shown to be mitigated through analytic results in addition to examples. Supplementary materials for this article are available online.
DOI: 10.6084/m9.figshare.3493532.v1
title: Bayesian calibration of inexact computer models

description: Bayesian calibration is used to study computer models in the presence of both a calibration parameter and model bias. The parameter in the predominant methodology is left undefined. This results in an issue where the posterior of the parameter is sub-optimally broad. There has been no generally accepted alternatives to date. This paper proposes using Bayesian calibration where the prior distribution on the bias is orthogonal to the gradient of the computer model. Problems associated with Bayesian calibration are shown to be mitigated through analytic results in addition to examples.
DOI: 10.6084/m9.figshare.3493514
title: Family Planning in Substance Use Disorder Treatment Centers: Opportunities and Challenges

description: <i>Background</i>: Alcohol, tobacco, and drug use during pregnancy can cause a range of adverse birth outcomes. Promoting family planning among women with substance use disorders (SUD) can help reduce substance exposed pregnancies. <i>Objectives</i>: We conducted qualitative research to determine the acceptability and feasibility of offering family planning education and services SUD treatment centers. <i>Methods</i>: Focus groups and in-depth interviews were conducted with clients, staff and medical providers at three treatment centers. Interviews were transcribed and data was analyzed using a flexible coding scheme. <i>Results</i>: Clients reported being interested in family planning services while they were in treatment. Most preferred to receive these services onsite. Providers also felt that services should be received onsite, though cited several barriers to implementation, including time constraints and staff levels of comfort with the subject. <i>Conclusions/Importance</i>: Women in SUD treatment are open to the integration of family planning services into treatment. Treatment centers have the opportunity to serve as models of client-centered health homes that offer a variety of educational, preventive, and medical services for women in both treatment and recovery.
DOI: 10.6084/m9.figshare.3493505
title: Annotation Table for Transcriptome Assembly

description: Annotation Table for Transcriptome Assembly
DOI: 10.6084/m9.figshare.3493505.v1
title: Annotation Table for Transcriptome Assembly

description: Annotation Table for Transcriptome Assembly
DOI: 10.6084/m9.figshare.3493463
title: Minimally changed run sequences in factorial experiments

description: Randomization of run sequences in factorial experiments may result in large number of changes in factor levels which will make the experimentation expensive, time-consuming and difficult. Experiments in which it is difficult to change the levels of factor(s) use of minimally changed run sequences may often be preferable to a random run sequence. In the present paper, we have developed method for obtaining minimally changed run sequences for factorial experiments. The general expression of factor-wise number of level changes for the developed minimally changed run sequences has also been obtained. A relationship has been established between the time count effect of a lower order factorial with minimally changed run sequences and that of a higher order factorial with minimally changed run sequences obtained through the lower order minimally changed run sequences. For providing a readymade solution to the end users, a SAS macro has also been developed for generating these minimally changed run sequences along with its parameters.
DOI: 10.6084/m9.figshare.3493463.v2
title: Minimally changed run sequences in factorial experiments

description: Randomization of run sequences in factorial experiments may result in large number of changes in factor levels which will make the experimentation expensive, time-consuming and difficult. Experiments in which it is difficult to change the levels of factor(s) use of minimally changed run sequences may often be preferable to a random run sequence. In the present paper, we have developed method for obtaining minimally changed run sequences for factorial experiments. The general expression of factor-wise number of level changes for the developed minimally changed run sequences has also been obtained. A relationship has been established between the time count effect of a lower order factorial with minimally changed run sequences and that of a higher order factorial with minimally changed run sequences obtained through the lower order minimally changed run sequences. For providing a readymade solution to the end users, a SAS macro has also been developed for generating these minimally changed run sequences along with its parameters.
DOI: 10.6084/m9.figshare.3493463.v1
title: Minimally Changed Run Sequences in Factorial Experiments

description: Randomization of run sequences in factorial experiments may result in large number of changes in factor levels which will make the experimentation expensive, time-consuming and difficult. Experiments in which it is difficult to change the levels of factor(s), use of minimally changed run sequences may often be preferable to a random run sequence. In the present paper, we have developed method for obtaining minimally changed run sequences for factorial experiments. The general expression of factor-wise number of level changes for the developed minimally changed run sequences has also been obtained. A relationship has been established between the time count effect of a lower order factorial with minimally changed run sequences and that of a higher order factorial with minimally changed run sequences obtained through the lower order minimally changed run sequences. For providing a readymade solution to the end users, a SAS macro has also been developed for generating these minimally changed run sequences along with its parameters.
DOI: 10.6084/m9.figshare.3493370
title: Place of Birth_MartinHadley.xlsx

description: Places of birth of Irish enlistees to the Indian Medical Service, 1870-1914.
DOI: 10.6084/m9.figshare.3493370.v1
title: Place of Birth_MartinHadley.xlsx

description: Places of birth of Irish enlistees to the Indian Medical Service, 1870-1914.
DOI: 10.6084/m9.figshare.3493328
title: AFL_PLOSONE_BSPM_Beats.zip

description: These are the body surface potential maps files for three atrial flutter patients and four healthy subjects which were used for the analysis of "Noninvasive Imaging of Human Atrial Activation during Atrial Flutter and Normal Rhythm from Body Surface Potential Maps"
DOI: 10.6084/m9.figshare.3493328.v1
title: AFL_PLOSONE_BSPM_Beats.zip

description: These are the body surface potential maps files for three atrial flutter patients and four healthy subjects which were used for the analysis of "Noninvasive Imaging of Human Atrial Activation during Atrial Flutter and Normal Rhythm from Body Surface Potential Maps"
DOI: 10.6084/m9.figshare.3493310
title: Y. enterocolitica methylome at 37°C

description: Base modification/methylation data for <i>Y. enterocolitica</i> chromosome and virulence plasmid at 37°C
DOI: 10.6084/m9.figshare.3493310.v1
title: Y. enterocolitica methylome at 37°C

description: Base modification/methylation data for <i>Y. enterocolitica</i> chromosome and virulence plasmid at 37°C
DOI: 10.6084/m9.figshare.3493247
title: Y. enterocolitica methylome at 22°C

description: Base modification/methylation data for <i>Y. enterocolitica</i> chromosome and virulence plasmid at 22°C
DOI: 10.6084/m9.figshare.3493247.v1
title: Y. enterocolitica methylome at 22°C

description: Base modification/methylation data for <i>Y. enterocolitica</i> chromosome and virulence plasmid at 22°C
DOI: 10.6084/m9.figshare.3493145
title: DATA (Olfactory Test in iRBD and PD).xlsx

description: Odor identification was evaluated in iRBD patients (n=54), PD patients (n=54) and healthy controls (n=54) in China. With the identification data, a brief odor identification test was established and then validated in other subjects.
DOI: 10.6084/m9.figshare.3493145.v1
title: DATA (Olfactory Test in iRBD and PD).xlsx

description: Odor identification was evaluated in iRBD patients (n=54), PD patients (n=54) and healthy controls (n=54) in China. With the identification data, a brief odor identification test was established and then validated in other subjects.
DOI: 10.6084/m9.figshare.3493103
title: JSON-Encoded Textual Variance Between the Published Versions of David Mitchell's Cloud Atlas in “An Orison of Sonmi ~451”

description: This dataset represents my work to interpret the variances between the two published editions of David Mitchell's <i>Cloud Atlas </i>as described in Martin Paul Eve, '“You have to keep track of your changes”: The Version Variants and Publishing History of David Mitchell's <i>Cloud Atlas</i>', <i>Open Library of Humanities</i>, 2(1), http://dx.doi.org/10.16995/olh.82. It was created through a hermeneutic process of cross-comparing the different texts and then marked-up in JSON by hand. Potential re-uses include corrections, further visualization, digital-humanities teaching, and structural analysis.I also here include a Stemma diagram of the different texts and a Sankey Diagram of the differences between the versions.
DOI: 10.6084/m9.figshare.3493010
title: Tissue-specificity of gene expression diverges slowly between orthologs, and rapidly between paralogs

description: Supplementary data for the paper submitted:- Data sets used for analysis- Results of analysis (figures, txt)
DOI: 10.6084/m9.figshare.3493010.v1
title: Tissue-specificity of gene expression diverges slowly between orthologs, and rapidly between paralogs

description: Supplementary data for the paper submitted:- Data sets used for analysis- Results of analysis (figures, txt)
DOI: 10.6084/m9.figshare.3493010.v3
title: Tissue-specificity of gene expression diverges slowly between orthologs, and rapidly between paralogs

description: Supplementary data for the paper submitted:- Data sets used for analysis- Results of analysis (figures, txt)
DOI: 10.6084/m9.figshare.3493010.v2
title: Tissue-specificity of gene expression diverges slowly between orthologs, and rapidly between paralogs

description: Supplementary data for the paper submitted:- Data sets used for analysis- Results of analysis (figures, txt)
DOI: 10.6084/m9.figshare.3492941
title: Exploring phylogenetic relationships of Pteraspidiformes heterostracans (stem-gnathostomes) using continuous and discrete characters

description: Ostracoderms are a paraphyletic group of extinct jawless fishes comprising the gnathostome stem and are fundamental to our understanding of early vertebrate evolution. However, only a handful of these clades have robust phylogenies in place, hindering our interpretation of early vertebrate histories. A new phylogeny is proposed for the Pteraspidiformes – the largest and most-studied clade of heterostracan ostracoderms. Difficulties such as large amounts of missing data and the limited morphological variability within the group have led us to explore different coding strategies such as the inclusion of quantitative data and implied weighting. We present a new comprehensive data set including all described genera of Pteraspidiformes (47 taxa) analysed using discrete characters only, a combination of discrete and continuous characters, and gap-coding strategies (transforming the continuous into discrete characters), along with a Bayesian analysis. Two representatives of the Psammosteidae (<i>Drepanaspis</i> and <i>Psammosteus</i>) are also incorporated within the analysis to elucidate their inclusiveness within the Pteraspidiformes. Well-resolved trees are only achieved under re-weighted (implied weighting) analyses. Here, we show that many ‘classic’ Pteraspidiformes clades hold true under our different coding methods, with the implied weighting of discrete characters and inclusion of continuous characters giving very similar topologies. In all instances, the Psammosteidae are found to belong within the Pteraspidiformes, nested with the Spitsbergen genera <i>Doryaspis</i>, <i>Xylaspis</i> and <i>Woodfjordaspis</i>. Gap coding, however, results in a different tree topology to other analyses, perhaps due to the high sensitivity to missing data. Our results indicate that careful consideration and justifications should be applied to quantitative characters when reconstructing relationships of homoplastic ostracoderms. Superfamily Doryaspidae superfam. nov. is introduced. http://zoobank.org/urn:lsid:zoobank.org:pub:BF5255A1-1417-432B-AC64-BF132A0BCC65