cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/kf5p3yf76k
title: Tensile test data on PLA samples with and without sterilization

description: To successfully implement additive manufacturing (AM) techniques for custom medical device (MD) production with low-cost resources, it is imperative to understand the effect of common and affordable sterilization processes, such as formaldehyde or steam sterilization, on pieces manufactured by AM. In this way, the performance of low-risk MDs, such as biomodels and surgical guides, could be assessed for complying with safety, precision, and MD delivery requirements. In this context, the present work aimed to evaluate the effect of formaldehyde and steam sterilization on the dimensional and mechanical stability of standard PLA test pieces produced by fused deposition modeling (FDM). To achieve this, PLA samples were sterilized according to the sterilization protocol of a public hospital in the city of Bucaramanga, Colombia. Results indicated statistically significant changes in mechanical strength and dimensional changes as a function of manufacturing parameters. This research attempts to contribute to the consolidation of the set of processing variables that could make PLA-based MD fabrication through AM technologies a feasible, reliable, and economical alternative for developing countries. This dataset contains files related to tensile tests on parts manufactured by AM using PLA, under sterilization and control. There are raw data in Excel for tensile tests, code in R-studio for statistical analysis (nonparametric comparison and multivariable analysis), and three t-bone samples assembly in stl for additive manufacturing.
DOI: 10.6084/m9.figshare.1339514.v2
title: Renaming Seattle

description: This is a corrected, tabular format of City of Seattle Ordinance 4044, “An ordinance changing the names of certain streets and avenues in the City of Seattle,” which passed on December 23, 1895 and rewrote the landscape of the city.
DOI: 10.6084/m9.figshare.15098094.v2
title: Phase Classification of Multi-Principal Element Alloys via Interpretable Machine Learning

description: This dataset contains 1821 compositions ranging from binary to multi-component alloys along with phase information by referring to several previous reports that compiled experimental data from the published literature.A total of 125 variables for each observation were generated by the Magpie program and down-selected to 12 variables based on linear Pearson correlation coefficient and non-linear normalized mutual information analyses. The down-selected variables can be subdivided into three categories: (1) those that are chemistry-agnostic (e.g., MixingEntropy),(2) those that depend on element pairs (e.g., DeltaHf), (3) those that are depend on chemistry (e.g., maxdiff_Electronegativity).
DOI: 10.17632/9npzbhzhtg
title: OEM investment announcements for electric vehicles and related battery production in the U.S. from 2020 to 2022

description: We collected OEM and supplier investment plans announced in the US between 2020 and 2022 towards 2030. This data is used to estimate the investment per unit of EV and related battery production capacity in the US, and eventually to estimate the total planned production capacity of electric vehicles (EVs) and related batteries in the US out to 2030. In this dataset, you can find the details of the announcement, the OEM and supplier name, the estimated start year of production, announced investment, announced production capacity (e.g., number of vehicles per year, or GWh/year), and the link to the source. 

Moreover, we categorize the investment announcement into firm and tentative ones. A firm investment announcement clearly states (1) the intention of the investment, either for EV battery or EV production; (2) when the money will be spent and when the commercial production starts; and (3) either or both the intended production capacity of the facility and the amount of the investment. Investment plans that do not clarify (1) the use or the volume of the investment, or (2) the start year of the production, or (3) are not officially announced yet are considered as tentative investments. 

It is important to keep in mind that it usually takes up to about 2 years to finish the construction of the plant and up to another 5 years for a factory to eventually operate at its full capacity (also called utilization rate).
DOI: 10.17632/yrdh6r3sgx
title: Execution time of high-precision BLAS Level 1 operations on Intel Core i5-4590 and NVIDIA Turing RTX 2060

description: This dataset contains the execution time of four BLAS Level 1 operations - ASUM, DOT, SCAL and AXPY - implemented using extended- and multiple-precision software for central processing units (CPUs) and CUDA compatible graphics processing units (GPUs). The experiments were conducted on an Intel Core i5-4590 processor and an NVIDIA Turing RTX 2060 graphics card. Each raw file provided contains the results of three test runs. For each test run, the BLAS function was repeated ten times, and the total execution time of ten iterations was measured. The complete source code for the tests can be found at https://github.com/kisupov/mpres-blas. Main parameters of the experiments: • Operation size: 1000000; • Number of repeats: 10; • Input data sets were composed of random floating-point numbers in the range from −1 to 1; • Measurements are in milliseconds. Experimental environment: • Intel Core i5-4590 (3.30 GHz, 4 Cores/4 Threads); • 16 GB DDR3 system memory; • NVIDIA Turing RTX 2060 GPU (1920 CUDA Cores, Compute Capability 7.5, 6 GB GDDR6 memory); • Ubuntu 19.10 (development branch); • GCC compiler version 7.4.0; • CUDA Toolkit 10.1.105; • nvcc flags: -O3 -DNDEBUG -use_fast_math -std=c++14 -Xcompiler=-O3,-fopenmp,-ffast-math. The following software are considered that provide computations with extended or multiple precision: • For CPU: -- MPFR (https://www.mpfr.org); -- ARPREC (https://www.davidhbailey.com/dhbsoftware); -- MPDECIMAL (https://www.bytereef.org/mpdecimal); -- MPACK (http://mplapack.sourceforge.net); -- XBLAS (https://www.netlib.org/xblas). • For GPU: -- GARPREC (https://code.google.com/archive/p/gpuprec/downloads); -- CAMPARY (http://homepages.laas.fr/mmjoldes/campary); -- CUMP (https://github.com/skystar0227/CUMP); -- MPRES-BLAS (https://github.com/kisupov/mpres-blas).
DOI: 10.6084/m9.figshare.11808363.v1
title: Supplementary Material for: Development of a Novel One-Step Automated Rapid in situ Hybridization for Anaplastic Lymphoma Kinase Rearrangement Using Non-Contact Alternating-Current Electric-Field Mixing

description: Echinoderm microtubule-associated protein-like 4 and anaplastic lymphoma kinase (<i>ALK</i>) fusion gene rearrangement is a key driver mutation in non-small cell lung cancer (NSCLC). Although Break-Apart <i>ALK</i> fluorescence in situ hybridization (FISH) is a reliable diagnostic method for detecting <i>ALK</i> gene rearrangement, it is also costly and time-consuming to use as a routine screening test. Our aim was to evaluate the clinical utility of a novel one-step, automated, rapid FISH (Auto-RaFISH) method developed to facilitate hybridization. This method takes advantage of the non-contact mixing effect of an alternating-current electric field. Ten representative specimens from 85 patients diagnosed at multiple centers with primary lung cancer with identified <i>ALK</i>-FISH status were collected. The specimens were all tested using FISH, RaFISH, and Auto-RaFISH. With both RaFISH protocols, the <i>ALK</i> test was completed within 4.5 h, as compared to the 20 h needed for the standard protocol. We found 100% agreement between the standard FISH, RaFISH, and new Auto-RaFISH based on the <i>ALK</i> status, and all methods stained equally well. These findings suggest that Auto-RaFISH could potentially serve as an automated clinical tool for prompt determination of <i>ALK</i> status in NSCLC.
DOI: 10.17632/ywjgj97g74
title: Spatio-temporal Control of ERK Pulse Frequency Coordinates Fate Decisions during Mammary Acinar Morphogenesis

description: Experimental data and R/matlab scripts required to reproduce the figures from the accompanying publication: Ender et al. "Spatio-temporal Control of ERK Pulse Frequency Coordinates Fate Decisions during Mammary Acinar Morphogenesis". Pre-print available from here: https://doi.org/10.1101/2020.11.20.387167
DOI: 10.17632/fdbj8wz8cm
title: Outputs of the climatological simulations from Mogollon and Calil 2018

description: The outputs of the low and high-resolution control simulations, 1/6° and 1/12°, respectively, consist of two NetCDF files containing twelve maps representing monthly means of seawater pCO2, air-sea CO2 fluxes (Flux), CO2 solubility (Kzero), and CO2 transfer velocity (Kw). Associated state variables are also included, such as surface dissolved inorganic carbon (DIC), alkalinity (Alk), temperature (SST), and salinity (SSS).
DOI: 10.6084/m9.figshare.5126401.v1
title: Supplementary Material for: Treatment Policy rather than Patient Characteristics Determines Convection Volume in Online Post-Dilution Hemodiafiltration

description: <b><i>Background/Aims:</i></b> Sub-analyses of three large trials showed that hemodiafiltration (HDF) patients who achieved the highest convection volumes had the lowest mortality risk. The aims of this study were (1) to identify determinants of convection volume and (2) to assess whether differences exist between patients achieving high and low volumes. <b><i>Methods:</i></b> HDF patients from the CONvective TRAnsport STudy (CONTRAST) with a complete dataset at 6 months (314 out of a total of 358) were included in this post hoc analysis. Determinants of convection volume were identified by regression analysis. <b><i>Results:</i></b> Treatment time, blood flow rate, dialysis vintage, serum albumin and hematocrit were independently related. Neither vascular access nor dialyzer characteristics showed any relation with convection volume. Except for some variation in body size, patient characteristics did not differ across tertiles of convection volume. <b><i>Conclusion:</i></b> Treatment time and blood flow rate are major determinants of convection volume. Hence, its magnitude depends on center policy rather than individualized patient prescription.
DOI: 10.17632/5b3wx7mkk6
title: Test dataset for: A Dual-Functional System for Classification and Diameter Measurement of Aortic Dissections Using CTA Volumes by Deep-Learning (Type I, II)

description: Test dataset for: A Dual-Functional System for Classification and Diameter Measurement of Aortic Dissections Using CTA Volumes by Deep-Learning (Type I, II)
DOI: 10.6084/m9.figshare.25469980.v1
title: Supplementary Material for: Reticular Bullous Epithelial Corneal Edema after Netarsudil Use for Elevated Intraocular Pressure with Concurrent Fuchs Endothelial Corneal Dystrophy: A Case Report

description: Introduction: We describe a case of reticular bullous corneal epithelial edema associated with the use of netarsudil ophthalmic solution (0.02%) for elevated intraocular pressure. Case presentation: A 74-year-old man with a complex ocular medical history, including Fuchs dystrophy and primary open-angle glaucoma, developed progressively worsening loss of vision three weeks following the initiation of topical netarsudil for increased intraocular pressure. Visual acuity in the left eye was counting fingers at 3 feet and intraocular pressure in the left eye was 7 mmHg. A characteristic “honeycomb” pattern epitheliopathy was seen on ocular examination. Conclusion: Reticular bullous epithelial corneal edema is an uncommon finding associated with netarsudil use, which can be overlooked in favor of corneal edema associated with Fuchs dystrophy. This is especially relevant given Fuchs dystrophy itself is a predisposing risk factor for netarsudil-induced reticular bullous corneal epithelial edema. Improvement of both the corneal edema and visual acuity should be expected after discontinuing netarsudil and undergoing superficial keratectomy.
DOI: 10.6084/m9.figshare.28264118.v2
title: Soil dataset

description: Soil data related to the findings of the manuscript.
DOI: 10.17632/w999vnkdzn
title: HRD predictions

description: Predictions of HRD for the in-house and TCGA datasets.
DOI: 10.17632/ttf83y4b95
title: Framing Justice Perception

description: Data reported for the manuscript titled " Framing Justice Perception in Public Goods Dilemmas: Effects of Context and Social Value Orientation on Cooperation"
DOI: 10.6084/m9.figshare.24782769.v2
title: <b>High TNF and NF-kB pathway dependency are associated with AZD5582 sensitivity in OSCC via CASP8-dependent apoptosis</b>

description: Supplementary Dataset 1 – Drug response data matrix of 339 compounds screened on 21 oral squamous cell carcinoma (OSCC) cell linesSupplementary Dataset 2 – RNA-seq derived gene expression matrix
DOI: 10.17632/vx2g6p7w3j
title: Data_S2_XYZ

description: Data_S2_XYZ
DOI: 10.6084/m9.figshare.1037555.v1
title: The impact of retweeting

description: A pilot study on the possible impact of retweeting of URLs to scientific articles on altmetric research
DOI: 10.6084/m9.figshare.4806658.v1
title: Supplementary Material for: Changes in IP3 Receptor Expression and Function in Aortic Smooth Muscle of Atherosclerotic Mice

description: Peroxynitrite is an endothelium-independent vasodilator that induces relaxation via membrane hyperpolarization. The activation of IP3 receptors triggers the opening of potassium channels and hyperpolarization. Previously we found that relaxation to peroxynitrite was maintained during the development of atherosclerosis due to changes in the expression of calcium-regulatory proteins. In this study we investigated: (1) the mechanism of peroxynitrite-induced relaxation in the mouse aorta, (2) the effect of atherosclerosis on relaxation to peroxynitrite and other vasodilators, and (3) the effect of atherosclerosis on the expression and function of the IP3 receptor. Aortic function was studied using wire myography, and atherosclerosis was induced by fat-feeding ApoE<sup>-/-</sup> mice. The expression of IP3 receptors was studied using Western blotting and immunohistochemistry. Relaxation to peroxynitrite was attenuated by the IP3 antagonists 2-APB and xestospongin C and also the K<sub>v</sub> channel blocker 4-aminopyridine (4-AP). Atherosclerosis attenuated vasodilation to cromakalim and the AMPK activator A769662 but not peroxynitrite. Relaxation was attenuated to a greater extent by 2-APB in atherosclerotic aortae despite the reduced expression of IP3 receptors. 4-AP was less effective in ApoE<sup>-/-</sup> mice fat-fed for 4 months. Peroxynitrite relaxation involves an IP3-induced calcium release and K<sub>V</sub> channel activation. This mechanism becomes less important as atherosclerosis develops, and relaxation to peroxynitrite may be maintained by increased calcium extrusion.
DOI: 10.17632/rsxnwf3k4z
title: RunMC—an object-oriented analysis framework for Monte Carlo simulation of high-energy particle collisions

description: Abstract RunMC is an object-oriented framework aimed to generate and to analyse high-energy collisions of elementary particles using Monte Carlo simulations. This package, being based on C++ adopted by CERN as the main programming language for the LHC experiments, provides a common interface to different Monte Carlo models using modern physics libraries. Physics calculations (projects) can easily be loaded and saved as external modules. This simplifies the development of complicated calculations for h... Title of program: RunMC version 3.3 Catalogue Id: ADWH_v1_0 Nature of problem Simulation of high-energy collisions of elementary particles Versions of this program held in the CPC repository in Mendeley Data ADWH_v1_0; RunMC version 3.3; 10.1016/j.cpc.2005.03.114 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)
DOI: 10.6084/m9.figshare.7492604.v1
title: EXP 3_TGFb and SB. ENZO anti-PAR. And seeding in the presence of XAV

description: EXP 3_TGFb and SB. ENZO anti-PAR. And seeding in the presence of XAV
DOI: 10.6084/m9.figshare.22712695.v1
title: Impact of Agricultural Tarping on Surface-Active Arthropods

description: Data associated with manuscript: Differing short-term impacts of agricultural tarping on soil-dwelling and surface-active arthropods by Kinnebrew et al. 2023, <em>Agriculture, Ecosystems and Environment.</em> DOI: 10.1016/j.agee.2023.108542 This dataset details the surface-active arthropods collected during the experiment. <br> Column names and descriptions: <br> 1. Date: Date of collection 2. Sampling: The time period in which collection occurred. Pretarps: 1 week before tarps were applied; Tarps on: during tarping; Tarps off 1w: 1 week after tarp removal; Tarps off 3w: 3 weeks after tarp removal; Tarps off 5w: 5 weeks after tarp removal 3. Farm: The location of the plot – the three farms sampled at included Diggers’, Intervale Community Farm (ICF), and Catamount Farm (all located in Chittenden County, Vermont, USA) 4. Treatment: The type of tarp treatment applied. SilageTarp: silage (black plastic) tarp; ClearPlastic: clear plastic tarp; Control: no tarp 5. PlotName: Unique plot identifier; the first three digits represent the farm on which the plot was located (ICF: Intervale Community Farm, Dig: Diggers’ Farm, Cat: Catamount Farm), the fourth digit represents the treatment (P: clear plastic, S: silage tarp, C: control), and the fifth digit represents the replicate number (1-6) 6. Num: number of individuals collected 7. SpCode: unique identifier for each morphospecies 8. Species: classification at the species level, if available 9. Genus: classification at the genus level, if available 10. Family: classification at the family level, if available 11. Order: classification at the order level 12. Class: classification at the class level
DOI: 10.17632/vpyzs5z6bs
title: Data: Are Energy Productivities Relevant for the Environment? A Latin American Quantile-on-Quantile Study, 1990-2022

description: Data Paper: Are Energy Productivities Relevant for the Environment? A Latin American Quantile-on-Quantile Study, 1990-2022
DOI: 10.6084/m9.figshare.24187368.v1
title: Source data for figures in the paper: Coastal surface soil carbon stocks have distinctly increased under extensive ecological restoration in northern China

description: Fig. 1 Administrative divisions and sampling sites of the study area. Fig. 2 Simulation accuracies of soil organic carbon (SOC) across scales from 100 m to 1000 m. Fig. 3 Maps of soil organic carbon density (SOCD) in 2020 across scales from 100 m to 1000 m in the three extents. Fig. 4 Estimations of soil organic carbon density (SOCD) and stock (SOCS) across scales from 100 m to 1000 m in the three extents. Fig. 5 Maps of △SOCD from 2010 to 2020. Fig. 6 Spatial patterns of SOCD and △SOCD along the multiple gradients. Fig. 7 Effects of extensive ecological restoration on coastal soil carbon stock.
DOI: 10.17632/ryczry3ntj
title: Enzymatic Δ1-dehydrogenation of 3-ketosteroids – Reconciliation of Kinetic Isotope Effects with the Reaction Mechanism

description: Data and analysis supporting the publication titled 'Enzymatic Δ1-dehydrogenation of 3-ketosteroids – Reconciliation of Kinetic Isotope Effects with the Reaction Mechanism' (2021) created by Michał Glanowski, Patrycja Wójcik, Magdalena Procner, Tomasz Borowski, Dawid Lupa, Przemysław Mielczarek, Maria Oszajca, Katarzyna Świderek, Vicent Moliner, Andrzej J. Bojarski, Maciej Szaleniec, ACS Catalysis 2021, 11, 8211−8225. Online access: https://doi.org/10.1021/acscatal.1c01479 Δ1-Dehydrogenation of 3-ketosteroids catalyzed by FAD-dependent 3-ketosteroid dehydrogenases (Δ1-KSTD) is a crucial step in steroid degradation and synthesis of several steroid drugs. The catalytic mechanism assumes the formation of a double bond in two steps, proton abstraction by tyrosyl ion and a rate-limiting hydride transfer to FAD. This hypothesis was never verified by quantum-mechanical studies despite contradictory results from kinetic isotope effect (KIE) reported in ’60 by Jerussi and Ringold (Biochemistry 1965, 4 (10)). In this paper, we present results that reconcile the mechanistic hypothesis with experimental evidence. Quantum mechanics/molecular mechanics molecular dynamics (QM/MM MD) simulations show that the proposed mechanism is indeed the most probable, but barriers associated with substrate activation (13.4-16.3 kcal/mol) and hydride transfer (15.5-18.0 kcal/mol) are very close (1.7-2.1 kcal/mol) which explains normal KIE values for steroids labeled either at C1 or C2 atoms. We confirm that tyrosyl ion acting as the catalytic base is indeed necessary for efficient activation of the steroid. We explain the lower value of the observed KIE (1.5-3.5) by the nature of the free energy surface, the presence of diffusion limitation and to a smaller extent conformational changes of the enzyme upon substrate binding. Finally, we confirm the Ping-Pong bi bi kinetics of the whole Δ1-dehydrogenation and demonstrate that substrate binding, steroid dehydrogenation and enzyme reoxidation proceed at comparable rates. This repository contains data acquired in this study i.e., raw data from stopped-flow spectrophotometer used to obtain kinetic traces for steady-state and pre-steady-state kinetics, including measurements of the kinetic isotope effect. The data were fitted with kinetic models yielding kinetic constants and confirming the Ping-Pong bi bi mechanism. The pre-steady-state kinetics conducted at different micro and macroviscosites were used to measure Kinetic Solvent Viscosity Effects (KSVE). Furthermore, a pre-steady-state experiment with 17-methyltestosterone was subjected to a global-fitting procedure in Octave which resulted in establishing microkinetic constants of substrate binding and release, constant of substrate oxidation/FAD reduction as well as of the reverse process. The authors acknowledge financial support from the National Science Centre Poland under the OPUS grant number UMO-2016/21/B/ST4/03798.
DOI: 10.17632/7tpmjh7dxy
title: Dataset of Evolution of Foreign Policy Pertaining to Israel by Malaysian Prime Ministers after Independence (1957-Present)

description: Dataset to compile for article Evolution of Foreign Policy Pertaining to Israel by Malaysian Prime Ministers after Independence (1957-Present)