Contributors:Quinn Reynolds, Markus Erwee, Oliver Oxtoby, Driaan Bezuidenhout
A dataset of high-speed video footage of mercury droplets settling through liquid media of which the viscosity is different, is presented. The video footage taken was at 4000 frames per second for mercury droplets at room temperature (25 °C) settling through either deionised water or silicone oil. The data set is useful for validation of computational models of a wide range of problems which include phase separation studies, settling behaviour as well as interfacial phenomena in liquid-liquid system.
A companion code repository for the article, "Development and Validation of Prediction Model for Risk Reduction of Metabolic Syndrome by Body Weight Control: A Prospective Population-based Study". The database is available from the National Research Institute of Health of South Korea, but restrictions apply to the availability of these data, which were used under license for the current study and are not publicly available. Data are however available from the authors upon reasonable request and with permission of the National Research Institute of Health of South Korea. Further information is available at the KoGES website: https://www.cdc.go.kr/menu.es?mid=a50401010100
The rows of the Spreadsheet highlighted in green are of the people who had a job goal during high school. The ones highlighted in red are of the ones who did not have a job goal. The dependent variable is located in Column E, which is high school grades. Other statistics were also collected during the study in hopes of establishing a relationship, and basic information was also gathered. Each column represents the results to one question in the ten question survey.
At the tables in the bottom, the totals of each type of grade (e.g. A+, A, A-) for the "Yes, I had a job goal" and 'No, I did not have a job goal" were calculated and displayed. The graphs visually depict the main table as well as the total tables for the grades of the respondents of the "Yes" and "No" categories.
Background: Pathologist disagreement over the diagnosis of melanoma may harm individuals and healthcare systems.
Objective: To estimate the population impact of pathology “over-calling” and “under-calling” of melanocytic lesions, and of potential solutions.
Methods: We undertook simulations using published data on the prevalence and diagnostic accuracy of melanocytic histopathology in the US population. We simulated biopsy results for 10,000 patients and modelled the impact of an intervention to improve pathologist agreement on “over-calling” and “under-calling”, and of second community pathologist review.
Results: For 10,000 individuals undergoing excision of one melanocytic lesion, interpreted by a community pathologist, a hypothetical intervention to improve histopathology agreement reduced the number of benign lesions “over-called” from 308 to 164 and the number of melanomas “under-called” from 289 to 240. If all uncertain diagnoses were sent for expert review, the number of referrals would decrease from 1,500 to 737 cases if formal second community pathologist was used, and to 701 cases if the hypothetical intervention was additionally used.
Limitations: Hypothetical intervention. Decision thresholds to rule in or rule out melanoma may differ to those used.
Conclusions: Interventions to improve histopathology agreement, and use of formal second community review, may reduce melanoma “over-calling” and “under-calling”.
Inhibiting the main proteasome of severe acute respiratory syndrome–coronavirus 2 (SARS-CoV-2) may serve as a treatment option for patients suffering from COVID-19. Inhibition of the main proteasome (SARS-CoV-2 Mpro) may improve patient outcomes and recovery through blocking viral replication and assembly.
A literature review of potential drug treatments for COVID-19 included Nelfinavir, an HIV antiviral, and Epirubicin, an anthracycline and topoisomerase inhibitor. The mechanism of action for both drugs includes binding to SARS-CoV-2 Mpro.
These data highlight in-silico binding pose energy predictions of SARS-CoV-2 Mpro (receptor) each of the two drug targets (ligands) using a Generic Evolutionary Method for Molecular Docking (iGEMDOCK). In-silico screening provides highly accurate, reproducible complex-ligand binding affinity prediction data. These data are derived from a population size of 200 and 70 docking generation trials.
The 3-D Protein Data Bank (PDB) structure of the main proteasome (SARS-CoV-2 Mpro) for this investigation was derived from the RCSB Protein Data Bank (PDB ID: 6LU7). The 3-D structures of Nelfinavir and Epirubicin were derived from the PubChem database (PubChem CIDs 64143, 41867 respectively). The 3-D structures were converted from 3D conformer SDF files to Protein Data Bank (PDB) formatting through OpenBabble.
The data show Nelfinavir as outcompeting Epirubicin in binding to the main proteasome (SARS-CoV-2 Mpro). The complex formation with Nelfinavir was more energetically favorable than that with Epirubicin. The data include relevant binding site residues and energy values, in units of kcal/mol. A composite of van der Waals forces, hydrogen bonding, and electrostatic charge provide the energy values.
Contributors:Anna Fernández, Fouad El Baidouri, Christophe Ravel, Montserrat Gallego, Carmen Munoz
This dataset supplements the Material and Methods section of the paper "The Leishmania donovani species complex: a new insight into taxonomy". It includes the codes and data used to perform the SH test on PAUP* v 4.0a165, as well as the codes, raw data and matrices used to perform the Mantel test on the package ade4 of R software.
For the full database, please visit: www.projectipad.org
The 2011 accident at Japan’s Fukushima Daiichi Nuclear Power Plant released a considerable inventory of radioactive material into the local and global environments. While the vast majority of this contamination was in the form of gaseous and aerosol species, of which a large component was distributed out over the neighbouring Pacific Ocean (where is was subsequently deposited), a substantial portion of the radioactive release was in particulate form and was deposited across Fukushima Prefecture. To provide an underpinning understanding of the dynamics of this catastrophic accident, alongside assisting in the off-site remediation and eventual reactor decommissioning activities, the ‘International Particle Analysis Database’, or ‘IPAD’, was established to serve as an interactive repository for the continually expanding analysis dataset of the sub-mm ejecta particulate. In addition to a fully interrogatable database of analysis results for registered users (exploiting multiple search methods), the database also comprises an open-access front-end for members of the public to engage with the multi-national analysis activities by exploring a streamlined version of the data.