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Purpose: First, to investigate the agreement between velocity, velocity gradient, and Reynolds stress obtained from four-dimensional flow magnetic resonance (4D flow MRI) measurements and direct numerical simulation (DNS). Second, to propose and optimize based on DNS, 2 alternative methods for the accurate estimation of wall shear stress (WSS) when the resolution of the flow measurements is limited. Thirdly, to validate the 2 methods based on 4D flow MRI data.
Methods: In vitro 4D MRI has been conducted in a realistic rigid stenosed aorta model under a constant flow rate of 12 L/min. A DNS of transitional stenotic flow has been performed using the same geometry and boundary conditions.
Results: Time-averaged velocity and Reynolds stresses are in good agreement between in vitro 4D MRI data and DNS (errors between 2% and 8% of the reference downsampled data). WSS estimation based on the 2 proposed methods applied to MRI data provide good agreement with DNS for slice-averaged values (maximum error is less than 15% of the mean reference WSS for the first method and 25% for the second method). The performance of both models is not strongly sensitive to spatial resolution up to 1.5 mm voxel size. While the performance of model 1 deteriorates appreciably at low signal-to-noise ratios, model 2 remains robust.
Conclusions: The 2 methods for WSS magnitude give an overall better agreement than the standard approach used in the literature based on direct calculation of the velocity gradient close to the wall (relative error of 84%).
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http://dx.doi.org/10.1002/mrm.28795 | DOI Listing |
J Chem Inf Model
September 2025
United States Environmental Protection Agency, Center for Computational Toxicology and Exposure, 109 TW Alexander Dr., Research Triangle Park, North Carolina 27711, United States.
To assess environmental fate, transport, and exposure for PFAS (per- and polyfluoroalkyl substances), predictive models are needed to fill experimental data gaps for physicochemical properties. In this work, quantitative structure-property relationship (QSPR) models for octanol-water partition coefficient, water solubility, vapor pressure, boiling point, melting point, and Henry's law constant are presented. Over 200,000 experimental property value records were extracted from publicly available data sources.
View Article and Find Full Text PDFPLoS Comput Biol
September 2025
Centre for Mathematical Modelling of Infectious Diseases, London School of Hygiene and Tropical Medicine, London, United Kingdom.
Understanding acute infectious disease dynamics at individual and population levels is critical for informing public health preparedness and response. Serological assays, which measure a range of biomarkers relating to humoral immunity, can provide a valuable window into immune responses generated by past infections and vaccinations. However, traditional methods for interpreting serological data, such as binary seropositivity and seroconversion thresholds, often rely on heuristics that fail to account for individual variability in antibody kinetics and timing of infection, potentially leading to biased estimates of infection rates and post-exposure immune responses.
View Article and Find Full Text PDFPLoS Comput Biol
September 2025
Program of Computational Sciences, Bard College, Annandale-on-Hudson, New York, United States of America.
Agent-based models (ABMs) have become essential tools for simulating complex biological, ecological, and social systems where emergent behaviors arise from the interactions among individual agents. Quantifying uncertainty through global sensitivity analysis is crucial for assessing the robustness and reliability of ABM predictions. However, most global sensitivity methods demand substantial computational resources, making them impractical for highly complex models.
View Article and Find Full Text PDFPLoS One
September 2025
Hydraulic Engineering and Water Management, School of Architecture and Civil Engineering, University of Applied Sciences, Saarbrücken, Germany.
Soil erosion is an ongoing environmental problem. To address this issue, calibrated erosion models are used to forecast areas vulnerable to erosion and to determine appropriate preventive measures. Model calibrations are based on erosion data recorded using different techniques such as photogrammetry from an unmanned aerial vehicle (UAV).
View Article and Find Full Text PDFPLoS One
September 2025
College of Intelligent Science and Control Engineering, Jinling Institute of Technology, Nanjing, China.
Traffic congestion frequently occurs in the drop-off zones of large integrated passenger hubs, posing significant challenges to the efficient utilization of lane space. This study develops a First-In-First-Out (FIFO) taxi drop-off decision-making model, incorporating both static and dynamic Logit frameworks grounded in panel data analysis. The model accounts for heterogeneity across vehicles, temporal variations, and spatial factors influencing drop-off decisions.
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