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Characteristics of transition to turbulence in a healthy thoracic aorta using large eddy simulation.
Sci Rep
January 2025
University of Ulsan, 93 Daehak-ro, Nam-gu, Ulsan, 680-749, Republic of Korea.
This study employed large eddy simulation (LES) with the wall-adapting local eddy-viscosity (WALE) model to investigate transitional flow characteristics in an idealized model of a healthy thoracic aorta. The OpenFOAM solver pimpleFoam was used to simulate blood flow as an incompressible Newtonian fluid, with the aortic walls treated as rigid boundaries. Simulations were conducted for 30 cardiac cycles and ensemble averaging was employed to ensure statistically reliable results.
View Article and Find Full Text PDFSynergizing Monte Carlo simulations and experimental insights for efficient cationic dye removal using natural fluorapatite.
J Mol Model
January 2025
Processes, Materials and Environment Laboratory (LPME), Faculty of Sciences and Technology of Fez, Sidi Mohamed Ben Abdellah University, B.P. 2202, Fez, Morocco.
Context: Natural fluorapatite (FAP) has been investigated as an adsorbent for the removal of dyes such as methylene blue (MB) and crystal violet (CV) from aqueous solutions. Effective dye removal is crucial for water treatment, particularly for industrial wastewater containing toxic dyes. FAP, a naturally abundant material, was characterized using XRD, FTIR, and SEM analysis.
View Article and Find Full Text PDFContribution of Nuclear Fragmentation to Dose and RBE in Carbon-Ion Radiotherapy.
Radiat Res
January 2025
Department of Radiation Oncology, Mayo Clinic, Rochester, Minnesota.
Variable relative biological effectiveness (RBE) of carbon radiotherapy may be calculated using several models, including the microdosimetric kinetic model (MKM), stochastic MKM (SMKM), repair-misrepair-fixation (RMF) model, and local effect model I (LEM), which have not been thoroughly compared. In this work, we compared how these four models handle carbon beam fragmentation, providing insight into where model differences arise. Monoenergetic and spread-out Bragg peak carbon beams incident on a water phantom were simulated using Monte Carlo.
View Article and Find Full Text PDFFlunarizine as a Candidate for Drug Repurposing Against Human Pathogenic Mammarenaviruses.
Viruses
January 2025
Department of Immunology and Microbiology, Scripps Research Institute, La Jolla, CA 92037, USA.
Lassa fever (LF), a viral hemorrhagic fever disease with a case fatality rate that can be over 20% among hospitalized LF patients, is endemic to many West African countries. Currently, no vaccines or therapies are specifically licensed to prevent or treat LF, hence the significance of developing therapeutics against the mammarenavirus Lassa virus (LASV), the causative agent of LF. We used in silico docking approaches to investigate the binding affinities of 2015 existing drugs to LASV proteins known to play critical roles in the formation and activity of the virus ribonucleoprotein complex (vRNP) responsible for directing replication and transcription of the viral genome.
View Article and Find Full Text PDFModelling Hollow Microneedle-Mediated Drug Delivery in Skin Considering Drug Binding.
Pharmaceutics
January 2025
Department of Mathematics, Visva-Bharati University, Santiniketan 731235, WB, India.
Microneedle(MN)-based drug delivery is one of the potential approaches to overcome the limitations of oral and hypodermic needle delivery. An in silico model has been developed for hollow microneedle (HMN)-based drug delivery in the skin and its subsequent absorption in the blood and tissue compartments in the presence of interstitial flow. The drug's reversible specific saturable binding to its receptors and the kinetics of reversible absorption across the blood and tissue compartments have been taken into account.
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