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Data-Driven Approach for Designing Eco-Friendly Heterocyclic Compounds for the Soil Microbiome.
Environ Sci Technol
January 2025
College of Environment, Zhejiang University of Technology, Hangzhou 310032, P. R. of China.
Soil microbiota plays crucial roles in maintaining the health, productivity, and nutrient cycling of terrestrial ecosystems. The persistence and prevalence of heterocyclic compounds in soil pose significant risks to soil health. However, understanding the links between heterocyclic compounds and microbial responses remains challenging due to the complexity of microbial communities and their various chemical structures.
View Article and Find Full Text PDFImproving Molecular Design with Direct Inverse Analysis of QSAR/QSPR Model.
Mol Inform
January 2025
Department of Applied Chemistry, School of Science and Technology, Meiji University, 1-1-1 Higashi-Mita, Tama-ku, Kawasaki, Kanagawa 214-8571, Japan.
Recent advances in machine learning have significantly impacted molecular design, notably the molecular generation method combining the chemical variational autoencoder (VAE) with Gaussian mixture regression (GMR). In this method, a mathematical model is constructed with X as the latent variable of the molecule and Y as the target properties and activities. Through direct inverse analysis of this model, it is possible to generate molecules with the desired target properties.
View Article and Find Full Text PDFA Multianalyte Machine Learning Model to Detect Wrong Blood in Complete Blood Count Tube Errors in a Pediatric Setting.
Clin Chem
January 2025
Department of Pathology and Laboratory Medicine, Children's Hospital of Philadelphia, Philadelphia, PA, United States.
Background: Multianalyte machine learning (ML) models can potentially identify previously undetectable wrong blood in tube (WBIT) errors, improving upon current single-analyte delta check methodology. However, WBIT detection model performance has not been assessed in a real-world, low-prevalence context. To estimate real-world positive predictive values, we propose a methodology to assess WBIT detection models by evaluating the impact of missing data and by using a "low prevalence" validation data set.
View Article and Find Full Text PDFImpact of Hypothermic Oxygenated Machine Perfusion on Immune Cell Clearance in Liver Transplantation: Enhancing Graft Function and Post-Transplant Outcomes.
J Clin Med
December 2024
Department of General, Visceral and Transplantation Surgery, LMU University Hospital, LMU Munich, Marchioninistr. 15, 81377 Munich, Germany.
Hypothermic oxygenated machine perfusion (HOPE) has emerged as a critical innovation in liver transplantation (LTx), offering significant protection against ischemia-reperfusion injury (IRI). This study focuses on quantifying and characterizing immune cells flushed out during HOPE to explore its effects on graft function and post-transplant outcomes. Fifty liver grafts underwent end-ischemic HOPE.
View Article and Find Full Text PDFCybersecurity Solutions for Industrial Internet of Things-Edge Computing Integration: Challenges, Threats, and Future Directions.
Sensors (Basel)
January 2025
Department of Computer Science and Engineering, Yanbu Industrial College, Royal Commission for Jubail and Yanbu, Yanbu Industrial City 41912, Saudi Arabia.
This paper provides the complete details of current challenges and solutions in the cybersecurity of cyber-physical systems (CPS) within the context of the IIoT and its integration with edge computing (IIoT-edge computing). We systematically collected and analyzed the relevant literature from the past five years, applying a rigorous methodology to identify key sources. Our study highlights the prevalent IIoT layer attacks, common intrusion methods, and critical threats facing IIoT-edge computing environments.
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