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Thermal Transport through CTAB- and MTAB-Functionalized Gold Interfaces Using Molecular Dynamics Simulations.
J Chem Inf Model
January 2025
251 Nieuwland Science Hall, Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, United States.
Thermal transport coefficients, notably the interfacial thermal conductance, were determined in planar and spherical gold interfaces functionalized with CTAB (cetyltrimethylammonium bromide) or MTAB (16-mercapto-hexadecyl-trimethylammonium bromide) using reverse nonequilibrium molecular dynamics (RNEMD) methods. The systems of interest included (111), (110), and (100) planar facets as well as nanospheres ( = 10 Å). The effect of metal polarizability was investigated through the implementation of the density-readjusted embedded atom model (DR-EAM), a polarizable metal potential.
View Article and Find Full Text PDFReliability of running gait variability measures calculated from inertial measurement units.
J Biomech
January 2025
Sport and Physical Activity Research Centre, Sheffield Hallam University, Olympic Legacy Park, 2 Old Hall Rd, Sheffield S9 3TY, United Kingdom. Electronic address:
Changes to the variability within biomechanical signals may reflect a change in the health of the human system. However, for running gait variability measures calculated from wearable device data, it is unknown whether a between-day difference reflects a shift in system dynamics reflective of a change in human health or is a result of poor between-day reliability of the measurement device or the biomechanical signal. This study investigated the reliability of stride time and sacral acceleration variability measures calculated from inertial measurement units (IMUs).
View Article and Find Full Text PDFQuantitative Physiologic MRI Combined with Feature Engineering for Developing Machine Learning-Based Prediction Models to Distinguish Glioblastomas from Single Brain Metastases.
Diagnostics (Basel)
December 2024
Department of Radiology, Perelman School of Medicine, University of Pennsylvania, Philadelphia, PA 19104, USA.
: The accurate and early distinction of glioblastomas (GBMs) from single brain metastases (BMs) provides a window of opportunity for reframing treatment strategies enabling optimal and timely therapeutic interventions. We sought to leverage physiologically sensitive parameters derived from diffusion tensor imaging (DTI) and dynamic susceptibility contrast (DSC)-perfusion-weighted imaging (PWI) along with machine learning-based methods to distinguish GBMs from single BMs. : Patients with histopathology-confirmed GBMs ( = 62) and BMs ( = 26) and exhibiting contrast-enhancing regions (CERs) underwent 3T anatomical imaging, DTI and DSC-PWI prior to treatment.
View Article and Find Full Text PDFCross-resistance between strain AFS009 metabolites (Howler EVO) and fludioxonil in .
Plant Dis
January 2025
Clemson University, Entomology, Soils, and Plant Sciences, 120 Long Hall, Clemson, South Carolina, United States, 29634-0315;
Howler EVO is a biological fungicide based on metabolites of the bacterium Pseudomonas chlororaphis strain AFS009. One of the metabolites, pyrrolnitrin (PRN), is a chemical analogue of the phenylpyrrole fludioxonil used to manage gray mold of fruit crops caused by Botrytis cinerea. Resistance to fludioxonil in B.
View Article and Find Full Text PDFConjunctival Bulbar Redness Extraction Pipeline for High-Resolution Ocular Surface Photography.
Transl Vis Sci Technol
January 2025
Institute of the Electrical and Biomedical Engineering, UMIT TIROL - Private University for Health Sciences and Health Technology, Hall in Tyrol, Austria.
Purpose: To extract conjunctival bulbar redness from standardized high-resolution ocular surface photographs of a novel imaging system by implementing an image analysis pipeline.
Methods: Data from two trials (healthy; outgoing ophthalmic clinic) were collected, processed, and used to train a machine learning model for ocular surface segmentation. Various regions of interest were defined to globally and locally extract a redness biomarker based on color intensity.
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