cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.6084/m9.figshare.11926257.v1
title: Evidence for Early Tonian (Ca. 1000-940 Ma) continental rifting in southern Borborema Province (NE Brazil): tectonic inheritance and shear zone nucleation during assembly of West Gondwana

description: The factors controlling the inception of continental-scale transcurrent shear zones are still under debate. In order to a better understanding of the origin and evolution of the 400 km long West Pernambuco shear zone (WPSZ), we undertook a structural, geochronological and geochemical study in an area around its eastern termination. The WPSZ is one of the most expressive strike-slip shear zones in the Borborema Province of NE Brazil, which resulted from orogenic processes associated with the assembly of western Gondwana in the Late Neoproterozoic. Previous studies have shown that 1000–940 Ma-old granitic orthogneisses are located immediately to the south of the western and central portions of the WPSZ. Based on LA-ICP-MS U-Pb zircon dating, we show that rocks with similar ages (995–956 Ma) also occur to the East. The geochemical characteristics of this magmatism and the alignment of the bodies along a narrow, less than 40 km-wide belt point to emplacement in a continental rift-related setting. The WPSZ thus follows the trend of a pre-existing rheological discontinuity, which induced strain localization during the post-collisional stage of the Brasiliano-Pan-African orogeny.
DOI: 10.6084/m9.figshare.11956191.v1
title: Disequilibrium crystallization and rapid crystal growth: a case study of orbicular granitoids of magmatic origin

description: Archaean orbicular granitoids from western Australia were investigated to better understand crystal growth processes. The orbicules are dioritic to tonalitic spheroids dispersed in a granitic host magma. Most orbicules have at least two to three concentric bands composed of elongate and radially oriented hornblendes with interstitial plagioclase. Each band consists of a hornblende-rich outer layer and a plagioclase-rich inner layer. Doublet band thicknesses increase, crystal number density decreases, and grain size increases from rim to core, suggesting crystallization was more rapid on the rims than in the core. Despite these radial differences, mineral mode and bulk composition of each band are similar, indicating limited crystal-melt segregation during crystallization. These observations lead us to suggest that the orbicules represent slowly quenched blobs of hot dioritic to tonalitic liquids injected into a cooler granitic magma. The oscillatory bands in the orbicules can be explained by rapid, disequilibrium crystallization (supercooling). In particular, a linear correlation between bandwidth and radial distance from orbicule rim can be explained by transport-limited crystallization, wherein crystallization timescales are shorter than chemical diffusion timescales. The slope of this linear relationship corresponds to the square root of the ratio between effective chemical diffusivity in the growth medium and thermal diffusivity, resulting in effective chemical diffusivities of 3 <b>× </b>10<sup>−8</sup> m<sup>2</sup>/s. These high effective diffusivities require static diffusion through a free volatile phase (fluid) and/or a strong advective/convective component in the fluid. Regardless of the mechanisms, these effective diffusivities can be used to estimate growth rates of ~10<sup>−6</sup> m/s or 0.4 cm/hr. Our results indicate that crystals can grow rapidly, possibly facilitated by fluids and dynamic conditions. These rapid growth rates suggest that centimetre or larger crystals, such as in porphyritic and pegmatitic systems, can conceivably grow within days.
DOI: 10.34740/kaggle/dsv/2181165
title: YouTube Trending Video Dataset (updated daily)
DOI: 10.21227/h6va-7325
title: Instructions

description: Instructions for authors submitting to TNS
DOI: 10.5281/zenodo.4711359
title: van der Waals Epitaxy of Co10-xZn10-yMnx+y Thin Films: Chemical Composition Engineering and Magnetic Properties

description: Raw data associated to the manuscript “van der Waals Epitaxy of Co10–xZn10–yMnx+y Thin Films: Chemical Composition Engineering and Magnetic Properties", J. Phys. Chem. C 2021, XXXX, XXX, XXX-XXX, DOI: https://doi.org/10.1021/acs.jpcc.1c00452 Abstract: Topologically protected magnetic skyrmions have raised interest for future spintronics applications. One of the main challenges is the synthesis of room temperature skyrmion-hosting materials that are compatible with thin-film technology. We present an approach to produce strain-free epitaxial thin films of Co10–xZn10–yMnx+y using molecular beam epitaxy. Bulk Co10–xZn10–yMnx+y is known to host skyrmions at room temperature for specific composition ratios. Our substrate consists of graphene on oxidized silicon. The van der Waals interactions of the grown material with graphene avoids covalent bonding and corresponding strain. We show how defects in the graphene foster nucleation resulting into three different kinds of morphologies: islands, columns and merged films. Susceptibility measurements suggest a phase transition close to room temperature. We detect up to three spin waves resonances suggesting relatively low magnetic damping. This growth technique opens a new route for integrating complex alloys and skyrmionic device concepts with silicon electronics.
description: We acknowledge SNF for the financial support via sinergia project 171003 (Nanoskyrmionics) , and projects BSCGI0-157705 and 177550.
DOI: 10.5281/zenodo.4711358
title: van der Waals Epitaxy of Co10-xZn10-yMnx+y Thin Films: Chemical Composition Engineering and Magnetic Properties

description: Raw data associated to the manuscript “van der Waals Epitaxy of Co10–xZn10–yMnx+y Thin Films: Chemical Composition Engineering and Magnetic Properties", J. Phys. Chem. C 2021, XXXX, XXX, XXX-XXX, DOI: https://doi.org/10.1021/acs.jpcc.1c00452 Abstract: Topologically protected magnetic skyrmions have raised interest for future spintronics applications. One of the main challenges is the synthesis of room temperature skyrmion-hosting materials that are compatible with thin-film technology. We present an approach to produce strain-free epitaxial thin films of Co10–xZn10–yMnx+y using molecular beam epitaxy. Bulk Co10–xZn10–yMnx+y is known to host skyrmions at room temperature for specific composition ratios. Our substrate consists of graphene on oxidized silicon. The van der Waals interactions of the grown material with graphene avoids covalent bonding and corresponding strain. We show how defects in the graphene foster nucleation resulting into three different kinds of morphologies: islands, columns and merged films. Susceptibility measurements suggest a phase transition close to room temperature. We detect up to three spin waves resonances suggesting relatively low magnetic damping. This growth technique opens a new route for integrating complex alloys and skyrmionic device concepts with silicon electronics.
description: We acknowledge SNF for the financial support via sinergia project 171003 (Nanoskyrmionics) , and projects BSCGI0-157705 and 177550.
DOI: 10.15139/s3/evx5y4
title: Replication Data for: "Elections, Protest, and Trust in Government: A Natural Experiment from Russia"

description: This repository contains the data and R code for my reproduction and extension of Frye and Borisova's (2019) article, "Elections, Protest, and Trust in Government: A Natural Experiment from Russia," published in The Journal of Politics.
DOI: 10.5281/zenodo.4732369
title: Los divisores de los números naturales.

description: Visualización gráfica de los divisores de los números naturales.
DOI: 10.5281/zenodo.4707977
title: Los divisores de los números naturales.

description: Visualización gráfica de los divisores de los números naturales.
DOI: 10.6084/m9.figshare.14481432
title: Mechanomics RT-DC Validation - TGBC CAV1 OE

description: Entry is a part of <b>Mechanomics</b> collection (10.6084/m9.figshare.c.5399826) that contains data supporting findings presented in the following manuscript:<i>Urbanska, M., Ge, Y.</i> et al., 2021 bioRxiv<b><i>De novo identification of universal cell mechanics regulators</i></b>https://doi.org/10.1101/2021.04.26.441418<br>This dataset contains mechanical measurement of transient over-expression of CAV1 in TGBC18TKB (TGBC) adenocarcinoma cell line.<br>Measurements were performed using real-time fluorescence and deformability cytometry (RT-FDC). <br><b>_rtdc.zip</b> - contains data acquired during the measurments in '*.rtdc' format<b>_tsv.zip</b> - contains extended data in a '*.tsv' format<b>_glmm.zip</b> - contains result summaries of statistical analysis comparing Young's moduli of the different cell types using generalised linear mixed effects models
DOI: 10.6084/m9.figshare.14481432.v2
title: Mechanomics RT-DC Validation - TGBC CAV1 OE

description: Entry is a part of <b>Mechanomics</b> collection (10.6084/m9.figshare.c.5399826) that contains data supporting findings presented in the following manuscript:<i>Urbanska, M., Ge, Y.</i> et al., 2021 bioRxiv<b><i>De novo identification of universal cell mechanics regulators</i></b>https://doi.org/10.1101/2021.04.26.441418<br>This dataset contains mechanical measurement of transient over-expression of CAV1 in TGBC18TKB (TGBC) adenocarcinoma cell line.<br>Measurements were performed using real-time fluorescence and deformability cytometry (RT-FDC). <br><b>_rtdc.zip</b> - contains data acquired during the measurments in '*.rtdc' format<b>_tsv.zip</b> - contains extended data in a '*.tsv' format<b>_glmm.zip</b> - contains result summaries of statistical analysis comparing Young's moduli of the different cell types using generalised linear mixed effects models
DOI: 10.6084/m9.figshare.14481432.v1
title: Mechanomics RT-DC Validation - TGBC CAV1 OE

description: Entry is a part of <b>Mechanomics</b> collection (10.6084/m9.figshare.c.5399826) that contains data supporting findings presented in the following manuscript:<i>Urbanska, M., Ge, Y.</i> et al., 2021 bioRxiv<b><i>De novo identification of universal cell mechanics regulators</i></b>https://doi.org/10.1101/2021.04.26.441418<br>This dataset contains mechanical measurement of transient over-expression of CAV1 in TGBC18TKB (TGBC) adenocarcinoma cell line.<br>Measurements were performed using real-time fluorescence and deformability cytometry (RT-FDC). <br><b>_rtdc.zip</b> - contains data acquired during the measurments in '*.rtdc' format<b>_tsv.zip</b> - contains extended data in a '*.tsv' format<b>_glmm.zip</b> - contains result summaries of statistical analysis comparing Young's moduli of the different cell types using generalised linear mixed effects models
DOI: 10.5281/zenodo.4732353
title: TAMUoic2019 Database P21 Kernel Extension

description: The P21 kernel extension of the TAMUoic2019 database (https://doi.org/10.5281/zenodo.4718022), which is a database of the single-scattering properties of oriented ice crystals (OIC). The two major oriented particles, horizontally oriented plates (HOP) and columns (HOC), are considered in the database.
description: {"references": ["Saito, M., and P. Yang (2019), Oriented ice crystals: A single-scattering property database for applications to lidar and optical phenomenon simulations, J. Atmos. Sci., 76, 2635\u20132652."]}
DOI: 10.5281/zenodo.4732273
title: TAMUoic2019 Database P21 Kernel Extension

description: The P21 kernel extension of the TAMUoic2019 database (https://doi.org/10.5281/zenodo.4718022), which is a database of the single-scattering properties of oriented ice crystals (OIC). The two major oriented particles, horizontally oriented plates (HOP) and columns (HOC), are considered in the database.
description: {"references": ["Saito, M., and P. Yang (2019), Oriented ice crystals: A single-scattering property database for applications to lidar and optical phenomenon simulations, J. Atmos. Sci., 76, 2635\u20132652."]}
DOI: 10.5281/zenodo.4732381
title: Ensemble forecasting of invasion risk for four alien springtail (Collembola) species in Antarctica

description: Outputs of the species distribution modelling of introduced collembola in the Antarctic Peninsula. Code available at: https://github.com/gretacv/SDMcollembola Biological invasions are one of the most important threats to Antarctic biodiversity. Springtails (Collembola) make up most of the diversity in soil arthropod communities in Antarctic terrestrial ecosystems. However, the potential range expansion of already established alien springtails and their consequent impacts on Antarctic ecosystems remains largely unknown. Species Distribution Models (SDMs) are a useful tool to identify areas potentially suitable for the geographical spread of alien species that are as yet unoccupied. In Antarctica, however, the application of SDMs is relatively more recent compared to the rest of the planet and received greater initial attention in marine environments. Here, we implement an ensemble forecasting approach and compute eight modelling algorithms to better understand the geographic distributions and potential range dynamics of four reportedly established alien springtail species (<em>Hypogastrura viatica</em>, <em>Folsomia candida</em>, <em>Mesaphorura macrochaeta</em> and <em>Proisotoma minuta</em>) on the Antarctic Peninsula. Our models identify several ice-free areas across the South Shetland Islands which offer highly suitable environmental conditions for establishment. Thus, biosecurity provisions ought to be reinforced in those sites more vulnerable to invasions. Model predictions of our ensemble SDM approach would benefit from additional field sampling effort across the introduced range and could be complemented with mechanistic models that critically need experimental physiological data to define the fundamental climatic niche of each species.
DOI: 10.5281/zenodo.4732380
title: Ensemble forecasting of invasion risk for four alien springtail (Collembola) species in Antarctica

description: Outputs of the species distribution modelling of introduced collembola in the Antarctic Peninsula. Code available at: https://github.com/gretacv/SDMcollembola Biological invasions are one of the most important threats to Antarctic biodiversity. Springtails (Collembola) make up most of the diversity in soil arthropod communities in Antarctic terrestrial ecosystems. However, the potential range expansion of already established alien springtails and their consequent impacts on Antarctic ecosystems remains largely unknown. Species Distribution Models (SDMs) are a useful tool to identify areas potentially suitable for the geographical spread of alien species that are as yet unoccupied. In Antarctica, however, the application of SDMs is relatively more recent compared to the rest of the planet and received greater initial attention in marine environments. Here, we implement an ensemble forecasting approach and compute eight modelling algorithms to better understand the geographic distributions and potential range dynamics of four reportedly established alien springtail species (<em>Hypogastrura viatica</em>, <em>Folsomia candida</em>, <em>Mesaphorura macrochaeta</em> and <em>Proisotoma minuta</em>) on the Antarctic Peninsula. Our models identify several ice-free areas across the South Shetland Islands which offer highly suitable environmental conditions for establishment. Thus, biosecurity provisions ought to be reinforced in those sites more vulnerable to invasions. Model predictions of our ensemble SDM approach would benefit from additional field sampling effort across the introduced range and could be complemented with mechanistic models that critically need experimental physiological data to define the fundamental climatic niche of each species.
DOI: 10.5517/ccdc.csd.cc24vt0v
title: CCDC 1991967: Experimental Crystal Structure Determination

description: Related Article: Jonghoon Choi, Sun Hee Kim, Yunho Lee|2021|Inorg.Chem.|60|5647|doi:10.1021/acs.inorgchem.0c03676
DOI: 10.5517/ccdc.csd.cc24vt1w
title: CCDC 1991968: Experimental Crystal Structure Determination

description: Related Article: Jonghoon Choi, Sun Hee Kim, Yunho Lee|2021|Inorg.Chem.|60|5647|doi:10.1021/acs.inorgchem.0c03676
DOI: 10.5517/ccdc.csd.cc24vt2x
title: CCDC 1991969: Experimental Crystal Structure Determination

description: Related Article: Jonghoon Choi, Sun Hee Kim, Yunho Lee|2021|Inorg.Chem.|60|5647|doi:10.1021/acs.inorgchem.0c03676
DOI: 10.6084/m9.figshare.12911282.v1
title: In silico enhancement of azo dye adsorption affinity for cellulose fibre through mechanistic interpretation under guidance of QSPR models using Monte Carlo method with index of ideality correlation

description: Azo dyes are a group of chemical moieties joined by azo (-N=N-) group with potential usefulness in different industrial applications. But these dyes are not devoid of hazardous consequence because of poor affinity for the fibre and discharge into the water stream. The chemical aspects of 72 azo dyes towards cellulose fibre in terms of their affinity by QSPR have been explored in the present work. We have employed two approaches, namely balance of correlation without <i>IIC</i> (TF<sub>1</sub>) and balance of correlation with <i>IIC</i> (TF<sub>2</sub>), to generate 16 QSAR models from 8 splits. The determination coefficient of calibration and validation set was found higher when the QSPR models were developed using the index of ideality correlation (<i>IIC</i>) parameter (TF<sub>2</sub>). The model developed with TF<sub>2</sub> for split 3 was considered as a prominent model because the determination coefficient of the validation set was maximum (<i>r</i><sup>2</sup> = 0.9468). The applicability domain (AD) was also analysed based on ‘statistical defect’, d(A) for a SMILES attribute. The mechanistic interpretation was done by identifying the SMILES attributes responsible for the promoter of endpoint increase and promoter of endpoint decrease. These SMILES attributes were applied to design 15 new dyes with higher affinity for cellulose fibre.
DOI: 10.6084/m9.figshare.12911282
title: In silico enhancement of azo dye adsorption affinity for cellulose fibre through mechanistic interpretation under guidance of QSPR models using Monte Carlo method with index of ideality correlation

description: Azo dyes are a group of chemical moieties joined by azo (-N=N-) group with potential usefulness in different industrial applications. But these dyes are not devoid of hazardous consequence because of poor affinity for the fibre and discharge into the water stream. The chemical aspects of 72 azo dyes towards cellulose fibre in terms of their affinity by QSPR have been explored in the present work. We have employed two approaches, namely balance of correlation without <i>IIC</i> (TF<sub>1</sub>) and balance of correlation with <i>IIC</i> (TF<sub>2</sub>), to generate 16 QSAR models from 8 splits. The determination coefficient of calibration and validation set was found higher when the QSPR models were developed using the index of ideality correlation (<i>IIC</i>) parameter (TF<sub>2</sub>). The model developed with TF<sub>2</sub> for split 3 was considered as a prominent model because the determination coefficient of the validation set was maximum (<i>r</i><sup>2</sup> = 0.9468). The applicability domain (AD) was also analysed based on ‘statistical defect’, d(A) for a SMILES attribute. The mechanistic interpretation was done by identifying the SMILES attributes responsible for the promoter of endpoint increase and promoter of endpoint decrease. These SMILES attributes were applied to design 15 new dyes with higher affinity for cellulose fibre.
DOI: 10.6084/m9.figshare.12966745.v1
title: QSAR model for predicting neuraminidase inhibitors of influenza A viruses (H1N1) based on adaptive grasshopper optimization algorithm

description: High-dimensionality is one of the major problems which affect the quality of the quantitative structure–activity relationship (QSAR) modelling. Obtaining a reliable QSAR model with few descriptors is an essential procedure in chemometrics. The binary grasshopper optimization algorithm (BGOA) is a new meta-heuristic optimization algorithm, which has been used successfully to perform feature selection. In this paper, four new transfer functions were adapted to improve the exploration and exploitation capability of the BGOA in QSAR modelling of influenza A viruses (H1N1). The QSAR model with these new quadratic transfer functions was internally and externally validated based on MSE<sub>train</sub>, Y-randomization test, MSE<sub>test</sub>, and the applicability domain (AD). The validation results indicate that the model is robust and not due to chance correlation. In addition, the results indicate that the descriptor selection and prediction performance of the QSAR model for training dataset outperform the other S-shaped and V-shaped transfer functions. QSAR model using quadratic transfer function shows the lowest MSE<sub>train</sub>. For the test dataset, proposed QSAR model shows lower value of MSE<sub>test</sub> compared with the other methods, indicating its higher predictive ability. In conclusion, the results reveal that the proposed QSAR model is an efficient approach for modelling high-dimensional QSAR models and it is useful for the estimation of IC<sub>50</sub> values of neuraminidase inhibitors that have not been experimentally tested.
DOI: 10.6084/m9.figshare.12966745
title: QSAR model for predicting neuraminidase inhibitors of influenza A viruses (H1N1) based on adaptive grasshopper optimization algorithm

description: High-dimensionality is one of the major problems which affect the quality of the quantitative structure–activity relationship (QSAR) modelling. Obtaining a reliable QSAR model with few descriptors is an essential procedure in chemometrics. The binary grasshopper optimization algorithm (BGOA) is a new meta-heuristic optimization algorithm, which has been used successfully to perform feature selection. In this paper, four new transfer functions were adapted to improve the exploration and exploitation capability of the BGOA in QSAR modelling of influenza A viruses (H1N1). The QSAR model with these new quadratic transfer functions was internally and externally validated based on MSE<sub>train</sub>, Y-randomization test, MSE<sub>test</sub>, and the applicability domain (AD). The validation results indicate that the model is robust and not due to chance correlation. In addition, the results indicate that the descriptor selection and prediction performance of the QSAR model for training dataset outperform the other S-shaped and V-shaped transfer functions. QSAR model using quadratic transfer function shows the lowest MSE<sub>train</sub>. For the test dataset, proposed QSAR model shows lower value of MSE<sub>test</sub> compared with the other methods, indicating its higher predictive ability. In conclusion, the results reveal that the proposed QSAR model is an efficient approach for modelling high-dimensional QSAR models and it is useful for the estimation of IC<sub>50</sub> values of neuraminidase inhibitors that have not been experimentally tested.