cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.6010416
title: Source molecular simulation data for calculating energy and friction profiles and permeability coefficients through model lipid membranes

description: Energy files from GROMACS molecular dynamics simulations with enhanced free energy sampling contain time-dependent evolution of the free energy profiles and friction profiles (and other energies and simulation properties) that were used for calculating permeability coefficients in the publication https://www.biorxiv.org/content/10.1101/2021.07.16.452599v1 Simulation system contains a lipid POPC or DPPC bilayer with a varying amount of cholesterol (specified as mol% in the file name). Hydrophobic level of the permeating particle is specified as "level-I", "level-II" etc. When unspecified in the file name, the particle is hydrophobic level "III". Lipids D-C14-PC denote PC lipids with both tails monounsaturated of length 14 carbon atoms. DOPC is equivalent to D-C18-PC. (Detailed description in the publication) Adaptive Weighted Histogram (AWH) method was used to sample the free energy profile of translocating small molecule through the lipid bilayer. GROMACS tool `gmx awh` reads the files and provides the described profiles. Files were generated by GROMACS `mdrun` simulation engine version 2019.3. Coarse-grained MARTINI 3.0 model was used for modeling the biomolecular interactions. Scripts to perform the simulations and the files with initial configurations and simulation settings are stored in a public GitHub repository depozited on Zenodo.org: https://doi.org/10.5281/zenodo.5082249. Abraham, M. J. et al. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers. SoftwareX 1–2, 19–25 (2015). Lindahl, V., Lidmar, J. & Hess, B. Accelerated weight histogram method for exploring free energy landscapes. J. Chem. Phys. 141, 044110 (2014). Souza, P. C. T. et al. Martini 3: a general purpose force field for coarse-grained molecular dynamics. Nat. Methods 18, 382–388 (2021). Melcr, J. Git repository with analysis scripts for MD simulations of permeability through lipid membranes. (2021) doi:https://doi.org/10.5281/zenodo.5082249.
DOI: 10.5281/zenodo.6010415
title: Source molecular simulation data for calculating energy and friction profiles and permeability coefficients through model lipid membranes

description: Energy files from GROMACS molecular dynamics simulations with enhanced free energy sampling contain time-dependent evolution of the free energy profiles and friction profiles (and other energies and simulation properties) that were used for calculating permeability coefficients in the publication https://www.biorxiv.org/content/10.1101/2021.07.16.452599v1 Simulation system contains a lipid POPC or DPPC bilayer with a varying amount of cholesterol (specified as mol% in the file name). Hydrophobic level of the permeating particle is specified as "level-I", "level-II" etc. When unspecified in the file name, the particle is hydrophobic level "III". Lipids D-C14-PC denote PC lipids with both tails monounsaturated of length 14 carbon atoms. DOPC is equivalent to D-C18-PC. (Detailed description in the publication) Adaptive Weighted Histogram (AWH) method was used to sample the free energy profile of translocating small molecule through the lipid bilayer. GROMACS tool `gmx awh` reads the files and provides the described profiles. Files were generated by GROMACS `mdrun` simulation engine version 2019.3. Coarse-grained MARTINI 3.0 model was used for modeling the biomolecular interactions. Scripts to perform the simulations and the files with initial configurations and simulation settings are stored in a public GitHub repository depozited on Zenodo.org: https://doi.org/10.5281/zenodo.5082249. Abraham, M. J. et al. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers. SoftwareX 1–2, 19–25 (2015). Lindahl, V., Lidmar, J. & Hess, B. Accelerated weight histogram method for exploring free energy landscapes. J. Chem. Phys. 141, 044110 (2014). Souza, P. C. T. et al. Martini 3: a general purpose force field for coarse-grained molecular dynamics. Nat. Methods 18, 382–388 (2021). Melcr, J. Git repository with analysis scripts for MD simulations of permeability through lipid membranes. (2021) doi:https://doi.org/10.5281/zenodo.5082249.
DOI: 10.6084/m9.figshare.19140140
title: Table_Anisotropy measurements non labeled protein

description: Anisotropy measurements non labeled protein
DOI: 10.6084/m9.figshare.14583279
title: Gold Standard Set of Resources

description: Set of sources used for precision and recall measures
DOI: 10.6084/m9.figshare.17283842
title: Digital Divide Survey Data

description: Data from representative sample of 2,188 undergraduates at a Hispanic-serving Institution (HSI), where a majority of students are low-income on challenges faced with remote instruction during fall 2020 during the pandemic. Data includes challenges with technology and working from home. It also includes demographic data.
DOI: 10.18739/a2js9h884
title: Arctic Water Isotope Network observations, vapor transport, and storm track site connections for September-November 2019

description: The dataset presented here is produced to examine the linkages between sea ice coverage and water vapor transport around the Arctic in four key storm tracks through the measurement of the isotopic composition of water vapor from five land-based sites in the Arctic Water Isotope Network and over the ocean from the research vessel Polarstern. These measurements occurred during the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) Expedition, including continuous measurements from September through November 2019. This dataset contains three types of information: 1) water vapor concentration and isotope values (δ18O, δD, and deuterium excess) for all sites; 2) Integrated Water Vapor Transport (IVT) values for all site-containing grid cells; and 3) active storm track and site connection delineations to determine when two or more sites are connected during an active storm track in order to measure the isotopic changes between sites.
DOI: 10.21227/067m-d536
title: Performance evaluation of some active anti-islanding methods 

description: This dataset will contains some simulation models in Matlab/Simulink of four most used active anti-islanding methods namely Active Frequency Drift (AFD), Sandia Frequency Shift (SFS), Slip Mode frequency Shift (SMS), Sandia Voltage Shift (SVS).
DOI: 10.6084/m9.figshare.19140212
title: Supplemental Table S1

description: This is a table with chemical composition of feeds and fermentation profile of silages.<br>
DOI: 10.6084/m9.figshare.19140212.v1
title: Supplemental Table S1.docx

description: This is a table with chemical composition of feeds and fermentation profile of silages.<br>
DOI: 10.6084/m9.figshare.19142060
title: ecg-polar-h10-set5

description: Single-lead ECG tracings along with heart rate and 3-axis chest actigraphy using a Polar H10 sensor worn with on a Polar Pro chest strap, with data transferred via bluetooth to an Android smartphone (Realme 6i) that serves as a bluetooth receptor unit and data recorder via the Polar Sensor Logger app on Android by Jukka Happonen (Polar developer, this app is unofficial): https://play.google.com/store/apps/details?id=com.j_ware.polarsensorlogger<br>Data was compressed with 7-zip using LZMA2 in Normal compression setting and split into 5GB parts to respect the file size limit of figshare. Total is 18 GB compressed, 106 GB uncompressed.<br>This dataset covers the period from 2021-10-09 to 2022-01-26, with a few 3-days gaps due to travelling and end of year festivities. There is no overlap with previous sets, this is the continuation. See other sets for further data.<br>This wearable was only worn when at home.<br>Each file represents one acquisition session, of variable time up to 140h in one session. The acquisition software also split files when the device is temporarily out of reach, so there several files with very few entries, which means the device was barely reachable or went in and out of bluetooth range. These files can be concatenated to study a longer time period. There are 4 types of files: ECG for the raw ECG at 133Hz sampling rate, HR for the heart-rate computed by the proprietary Polar embedded software in the H10 sensor and also the IBI (inter-beats intervals) to ease calculation of HRV (heart rate variability), ACC for the 3-axis (accelerometer = translation axes) chest actigraphy set at 100Hz sampling rate and 4g sampling resolution, and Marker which are manual markers by the operator to mark special temporal events but they were not used for this study so they are either deleted or empty. For the full technical specification of the Polar H10 device, see: https://github.com/polarofficial/polar-ble-sdk/tree/master/technical_documentation
DOI: 10.6084/m9.figshare.19142060.v1
title: ecg-polar-h10-set5

description: Single-lead ECG tracings along with heart rate and 3-axis chest actigraphy using a Polar H10 sensor worn with on a Polar Pro chest strap, with data transferred via bluetooth to an Android smartphone (Realme 6i) that serves as a bluetooth receptor unit and data recorder via the Polar Sensor Logger app on Android by Jukka Happonen (Polar developer, this app is unofficial): https://play.google.com/store/apps/details?id=com.j_ware.polarsensorlogger<br>Data was compressed with 7-zip using LZMA2 in Normal compression setting and split into 5GB parts to respect the file size limit of figshare. Total is 18 GB compressed, 106 GB uncompressed.<br>This dataset covers the period from 2021-10-09 to 2022-01-26, with a few 3-days gaps due to travelling and end of year festivities. There is no overlap with previous sets, this is the continuation. See other sets for further data.<br>This wearable was only worn when at home.<br>Each file represents one acquisition session, of variable time up to 140h in one session. The acquisition software also split files when the device is temporarily out of reach, so there several files with very few entries, which means the device was barely reachable or went in and out of bluetooth range. These files can be concatenated to study a longer time period. There are 4 types of files: ECG for the raw ECG at 133Hz sampling rate, HR for the heart-rate computed by the proprietary Polar embedded software in the H10 sensor and also the IBI (inter-beats intervals) to ease calculation of HRV (heart rate variability), ACC for the 3-axis (accelerometer = translation axes) chest actigraphy set at 100Hz sampling rate and 4g sampling resolution, and Marker which are manual markers by the operator to mark special temporal events but they were not used for this study so they are either deleted or empty. For the full technical specification of the Polar H10 device, see: https://github.com/polarofficial/polar-ble-sdk/tree/master/technical_documentation
DOI: 10.6084/m9.figshare.19141790
title: Machine Learning Models for Predicting Neonatal Mortality: A Systematic Review

description: Database for publication PMID: 34261070.
DOI: 10.6084/m9.figshare.19141790.v1
title: Machine Learning Models for Predicting Neonatal Mortality: A Systematic Review

description: Database for publication PMID: 34261070.
DOI: 10.3886/e114680v1-108740
title: Replication data for: The Economics of Rights: Does the Right to Counsel Increase Crime?

description: We examine the broad consequences of the right to counsel by exploiting a legal reform in Israel that extended the right to publicly provided legal counsel to suspects in arrest proceedings. Using the staggered regional rollout of the reform, we find that the reform reduced arrest duration and the likelihood of arrestees being charged. We also find that the reform reduced the number of arrests made by the police. Lastly, we find that the reform increased crime. These findings indicate that the right to counsel improves suspects' situation, but discourages the police from making arrests, which results in higher crime.
DOI: 10.5281/zenodo.5998511
title: Data for Horowitz et al. (2022). The Energy System Transformation Needed to Achieve the U.S. Long-Term Strategy

description: Data repository for Horowitz, et al. 2022, "The Energy System Transformation Needed to Achieve the U.S. Long-Term Strategy" All data shown in the paper is included here. Data includes results from: 1. U.S. LTS GCAM scenarios (labeled "GCAM")<br> 2. U.S. LTS NEMS scenarios (labeled "NEMS")<br> 3. Princeton's Net-Zero America scenarios (labeled "NZA")<sup>a</sup><br> 4. Williams et al. (2020) scenarios (labeled "Williams")<sup>b</sup> <br> Results are included in the following files: 1. waterfall.csv - Figure 1. Emissions decomposition by scenario. GCAM only.<br> 2. clean_fuels.csv - Figure 2. Clean fuel (bioliquids, biogas, and blue/green hydrogen) consumption. All models.<br> 3. coal.csv - Figure 2. Primary energy consumption of coal without CCS. All models.<br> 4. ZEV_stock.csv - Figure 2. Zero-emission vehicle percentage of light-duty vehicle stock. All models.<br> 5. ghg_by_type.csv - Figure 3. Greenhouse gas emissions by gas/source. GCAM only. Reference: a) Larson, E., Greig, C., Jenkins, J.,Mayfield, E., Pascale, A., Zhang, C., Drossman, J., Williams, R., Pacala, S., Socolow, R., et al. (2021). Net-zero America: Potential pathways, infrastructure, and impacts. (Princeton University). b) Williams, J. H., Jones, R. A., Haley, B., Kwok, G., Hargreaves, J., Farbes, J., & Torn, M. S. (2021). Carbon-Neutral Pathways for the United States. AGU Advances, 2, e2020AV000284. https://doi.org/https://doi.org/10.1029/2020AV000284.
DOI: 10.5281/zenodo.5998510
title: Data for Horowitz et al. (2022). The Energy System Transformation Needed to Achieve the U.S. Long-Term Strategy

description: Data repository for Horowitz, et al. 2022, "The Energy System Transformation Needed to Achieve the U.S. Long-Term Strategy" All data shown in the paper is included here. Data includes results from: 1. U.S. LTS GCAM scenarios (labeled "GCAM")<br> 2. U.S. LTS NEMS scenarios (labeled "NEMS")<br> 3. Princeton's Net-Zero America scenarios (labeled "NZA")<sup>a</sup><br> 4. Williams et al. (2020) scenarios (labeled "Williams")<sup>b</sup> <br> Results are included in the following files: 1. waterfall.csv - Figure 1. Emissions decomposition by scenario. GCAM only.<br> 2. clean_fuels.csv - Figure 2. Clean fuel (bioliquids, biogas, and blue/green hydrogen) consumption. All models.<br> 3. coal.csv - Figure 2. Primary energy consumption of coal without CCS. All models.<br> 4. ZEV_stock.csv - Figure 2. Zero-emission vehicle percentage of light-duty vehicle stock. All models.<br> 5. ghg_by_type.csv - Figure 3. Greenhouse gas emissions by gas/source. GCAM only. Reference: a) Larson, E., Greig, C., Jenkins, J.,Mayfield, E., Pascale, A., Zhang, C., Drossman, J., Williams, R., Pacala, S., Socolow, R., et al. (2021). Net-zero America: Potential pathways, infrastructure, and impacts. (Princeton University). b) Williams, J. H., Jones, R. A., Haley, B., Kwok, G., Hargreaves, J., Farbes, J., & Torn, M. S. (2021). Carbon-Neutral Pathways for the United States. AGU Advances, 2, e2020AV000284. https://doi.org/https://doi.org/10.1029/2020AV000284.
DOI: 10.5281/zenodo.6014225
title: my date

description: mt data
DOI: 10.5281/zenodo.6014746
title: The genetic consequences of captive breeding, environmental change and human exploitation in the endangered peninsular pronghorn

description: Binned microsatelite data of the peninsular pronghorn subspecies (Antilocapra americana peninsularis). Data is organized in by year manner. Each population correspond to the year samples were collected from, for example Pop_09 corresponds to samples collected from year 2009, whereas Pop_21 corresponds to the samples collected from year 2021.
DOI: 10.5281/zenodo.6014745
title: The genetic consequences of captive breeding, environmental change and human exploitation in the endangered peninsular pronghorn

description: Binned microsatelite data of the peninsular pronghorn subspecies (Antilocapra americana peninsularis). Data is organized in by year manner. Each population correspond to the year samples were collected from, for example Pop_09 corresponds to samples collected from year 2009, whereas Pop_21 corresponds to the samples collected from year 2021.
DOI: 10.6084/m9.figshare.14384832.v17
title: axivity-ax6-left-forearm-nondominant

description: 6-axis actigraphy (translation and rotation) using Axivity AX6 (similar to AX3 used in UK BioBank), configured with 100Hz sampling frequency, 16bit resolution and 2000dps gyro/rotation.<br>Attached with a velcro to the exterior of a cotton wrist band with arrow facing down towards the ground/back when arms are in a natural position along the body, on the left forearm (non-dominant arm).<br>Started acquisition in March 2021.<br>Each file represents one acquisition session of about 1 week. Multiple files can be concatenated to study a longer time period.
DOI: 10.6084/m9.figshare.14384832.v16
title: axivity-ax6-left-forearm-nondominant

description: 6-axis actigraphy (translation and rotation) using Axivity AX6 (similar to AX3 used in UK BioBank), configured with 100Hz sampling frequency, 16bit resolution and 2000dps gyro/rotation.<br>Attached with a velcro to the exterior of a cotton wrist band with arrow facing down towards the ground/back when arms are in a natural position along the body, on the left forearm (non-dominant arm).<br>Started acquisition in March 2021.<br>Each file represents one acquisition session of about 1 week. Multiple files can be concatenated to study a longer time period.
DOI: 10.5517/ccdc.csd.cc29b7kg
title: CCDC 2125005: Experimental Crystal Structure Determination

description: Related Article: Yi-Man Cui, Wei Li, Tian-Ze Shen, Yong-Xing Tao, Biao-Qi Liu, Xiao-Li Li, Rui-Han Zhang, De-Wei Jiang, Wei-Lie Xiao|2022|Bioorg.Med.Chem.Lett.|59|128565|doi:10.1016/j.bmcl.2022.128565
DOI: 10.15472/6mzbwp
title: Listado de las especies de Psephenidae (Coleoptera: Byrrhoidea) de Colombia

description: Este recurso presenta el listado de las especies de la familia Psephenidae (Coleoptera: Byrrhoidea) con ocurrencia conocida para el territorio colombiano. Se listan dos subfamilias, tres géneros y una especie. La información ha sido recopilada a partir de información disponible en el catálogo de Blackwekder (1944) y en literatura más reciente. Se incluyen las referencias de todas las descripciones originales.
DOI: 10.23641/asha.19119350
title: Single-word severity and intelligibility in CAS (Chenausky et al., 2022)

description: <b>Purpose: </b>The purpose of this study was to investigate the association between perceived single-word speech severity and intelligibility in children with childhood apraxia of speech (CAS), with and without comorbid language impairment (LI), and to investigate the contribution of different CAS signs to perceived single-word speech severity and single-word intelligibility.<b>Method: </b>Thirty children with CAS, 18 with comorbid LI, completed the Goldman-Fristoe Test of Articulation–Second Edition (GFTA-2). Trained judges coded children’s responses for signs of CAS and percent phonemes correct. Nine listeners, blind to diagnoses, rated speech severity using a visual analog scale. Intelligibility was assessed by comparing listeners’ orthographic transcriptions of children’s responses to target responses.<b>Results: </b>Measures of speech severity (GFTA-2 standard score, number of unique CAS signs, total CAS signs, and mean severity rating) were significantly correlated with measures of intelligibility (GFTA-2 raw score, percent phonemes correct, and mean intelligibility score). Speech severity and intelligibility did not differ significantly between children with and without LI. Only consonant errors contributed significant variability to speech severity. Consonant errors and stress errors contributed significant variability to intelligibility.<b>Conclusions: </b>Findings suggest that visual analog scale ratings are a valid and convenient measure of single-word speech severity and that GFTA-2 raw score is an equally convenient measure of single-word intelligibility. The result that consonant errors were by far the major contributor to single-word speech severity and intelligibility in children with CAS, with stress errors also making a small contribution to intelligibility, suggests that consonant accuracy and appropriate lexical stress should be prime therapeutic targets for these children in the context of treatment addressing motor planning/programming, self-monitoring, and self-correcting.<br><b>Supplemental Material S1.</b>Table S1a. Detailed subject information for participants from University of Nebraska. Table S1b. Detailed subject information for participants from Miami University. <br><br><b>Supplemental Material S2. </b>Table S2a. CAS sign information for participants from University of Nebraska. Table S2b. CAS sign information for participants from Miami University. <br>Chenausky, K. V., Gagné, D., Stipancic, K. L., Shield, A., & Green, J. R. (2022). The relationship between single-word speech severity and intelligibility in childhood apraxia of speech. <i>Journal of Speech, Language, and Hearing Research</i>. Advance online publication. https://doi.org/10.1044/2021_JSLHR-21-00213
DOI: 10.23641/asha.19119350.v1
title: Single-word severity and intelligibility in CAS (Chenausky et al., 2022)

description: <b>Purpose: </b>The purpose of this study was to investigate the association between perceived single-word speech severity and intelligibility in children with childhood apraxia of speech (CAS), with and without comorbid language impairment (LI), and to investigate the contribution of different CAS signs to perceived single-word speech severity and single-word intelligibility.<b>Method: </b>Thirty children with CAS, 18 with comorbid LI, completed the Goldman-Fristoe Test of Articulation–Second Edition (GFTA-2). Trained judges coded children’s responses for signs of CAS and percent phonemes correct. Nine listeners, blind to diagnoses, rated speech severity using a visual analog scale. Intelligibility was assessed by comparing listeners’ orthographic transcriptions of children’s responses to target responses.<b>Results: </b>Measures of speech severity (GFTA-2 standard score, number of unique CAS signs, total CAS signs, and mean severity rating) were significantly correlated with measures of intelligibility (GFTA-2 raw score, percent phonemes correct, and mean intelligibility score). Speech severity and intelligibility did not differ significantly between children with and without LI. Only consonant errors contributed significant variability to speech severity. Consonant errors and stress errors contributed significant variability to intelligibility.<b>Conclusions: </b>Findings suggest that visual analog scale ratings are a valid and convenient measure of single-word speech severity and that GFTA-2 raw score is an equally convenient measure of single-word intelligibility. The result that consonant errors were by far the major contributor to single-word speech severity and intelligibility in children with CAS, with stress errors also making a small contribution to intelligibility, suggests that consonant accuracy and appropriate lexical stress should be prime therapeutic targets for these children in the context of treatment addressing motor planning/programming, self-monitoring, and self-correcting.<br><b>Supplemental Material S1.</b>Table S1a. Detailed subject information for participants from University of Nebraska. Table S1b. Detailed subject information for participants from Miami University. <br><br><b>Supplemental Material S2. </b>Table S2a. CAS sign information for participants from University of Nebraska. Table S2b. CAS sign information for participants from Miami University. <br>Chenausky, K. V., Gagné, D., Stipancic, K. L., Shield, A., & Green, J. R. (2022). The relationship between single-word speech severity and intelligibility in childhood apraxia of speech. <i>Journal of Speech, Language, and Hearing Research</i>. Advance online publication. https://doi.org/10.1044/2021_JSLHR-21-00213