We investigate the onset of cavitation in a metastable fluid confined to nanoscale pores with nonwetting defects present. Using grand canonical and gauge cell mesocanonical Monte Carlo simulations, we study the degree of metastability (relative vapor pressure), at which the critical bubble forms in a spherical pore with a circular nonwetting defect. It is shown that an increase of the defect size leads to a transition from homogeneous to heterogeneous nucleation of critical bubbles formed at the defect site. In this case, the desorption process may be initiated at larger relative vapor pressures than those predicted by the theories of homogeneous cavitation.
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http://dx.doi.org/10.1021/la300078k | DOI Listing |
Alzheimers Dement
December 2024
Northwestern University Feinberg School of Medicine, Chicago, IL, USA.
Introduction: Patient-reported outcomes are increasingly being utilized in clinical settings to identify psychological symptoms and track fluctuations over time. Some clinicians and researchers have expressed concerns about the validity of symptom questionnaires cognitively impaired populations. We sought to determine if differential item functioning (DIF) is present based on cognitive impairment using the patient reported outcomes measurement information system (PROMIS) inventories of anxiety and depression.
View Article and Find Full Text PDFJ Phys Chem Lett
January 2025
Key Laboratory of Precision and Intelligent Chemistry, School of Chemistry and Materials Science, CAS Key Laboratory of Materials for Energy Conversion, CAS Center for Excellence in Nanoscience, University of Science and Technology of China, Hefei, Anhui 230026, P.R. China.
Half-metallicity, enabling 100% spin polarization, is pivotal for spintronics but remains challenging to achieve in low-dimensional materials. Using first-principles calculations, we theoretically propose an experimentally feasible two-dimensional (2D) metal-organic framework (MOF) magnetic semiconductor, Cr(TCNB) (TCNB = 1,2,4,5-tetracyanobenzene). This monolayer can be exfoliated from a Ag(100) substrate due to its low exfoliation energy of 0.
View Article and Find Full Text PDFSci Rep
January 2025
Department of Computer Science and Information Technology, Benazir Bhutto Shaheed University Lyari, Karachi, 75660, Pakistan.
Deep learning-based medical image analysis has shown strong potential in disease categorization, segmentation, detection, and even prediction. However, in high-stakes and complex domains like healthcare, the opaque nature of these models makes it challenging to trust predictions, particularly in uncertain cases. This sort of uncertainty can be crucial in medical image analysis; diabetic retinopathy is an example where even slight errors without an indication of confidence can have adverse impacts.
View Article and Find Full Text PDFJ Fluoresc
January 2025
Scientific and Educational and Innovation Center for Chemical and Pharmaceutical Technologies, Ural Federal University named after the First President of Russia B.N. Yeltsin, Ekaterinburg, 620002, Russian Federation.
Since corrosion causes significant harm to the environment and economy, sustainable corrosion inhibitors are essential. This study set out to examine Anti-corrosion ability of a number of closely related polycyclic compounds of flavone derivatives, namely 5,7-dimethoxyflavone (1), 4',5,7-trimethoxyflavone (2), 3',4',5'-trimethoxyflavone (3), 5-hydroxy-3,3',4',7-tetramethoxyflavone (4), tangeretin (5), 3,3',4',5,6,7,8-heptamethoxyflavone (6), 3',5,7-trihydroxy-4',5',6-trimethoxyflavone (7) and 3',4',5,7-tetrahydroxy-3,6,8-trimethoxyflavone (8), using the DFT/B3LYP/6-311 + + G(d, p) basis set. Monte Carlo simulations were used to reveal the adsorption of the investigated compounds on the Cu(111) surface.
View Article and Find Full Text PDFInt J Cardiovasc Imaging
January 2025
Department of Biomedical Engineering, College of Engineering, Virginia Commonwealth University, Richmond, VA, USA.
Our study aims to assess the robustness of myocardial radiomic texture features (RTF) to segmentation variability and variations across scanners with different field strengths, addressing concerns about reliability in clinical practices. We conducted a retrospective analysis on 45 pairs of CMR T1 maps from 15 healthy volunteers using 1.5 T and 3 T Siemens scanners.
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