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Atomic Adsorption Energies Prediction on Bimetallic Transition Metal Surfaces Using an Interpretable Machine Learning-Accelerated Density Functional Theory Approach.
ChemistryOpen
January 2025
Laboratory of Electrochemical Engineering, Department of Chemical Engineering, University of the Philippines Diliman, Quezon City, Metro Manila, 1101, Philippines.
In this study, we identified features with the largest contributions and property trends in predicting the adsorption energies of carbon, hydrogen, and oxygen adsorbates on transition metal (TM) surfaces by performing Density Functional Theory (DFT)-based calculations and Machine Learning (ML) regression models. From 26 monometallic and 400 bimetallic fcc(111) TM surfaces obtained from Catalysis-hub.org, three datasets consisting of fourteen elemental, electronic, and structural properties were generated using DFT calculations, site calculations, and online databases.
View Article and Find Full Text PDFMale breast atypical ductal hyperplasia (ADH): clinicopathological insights from a rare cohort.
Histopathology
January 2025
Department of Pathology and Laboratory Medicine, Lenox Hill Hospital, New York, NY, USA.
Aims: Atypical ductal hyperplasia (ADH) in male breast tissue is a rare condition with limited understanding. We aimed to elucidate the clinicopathological characteristics of ADH in male patients, focusing on its prevalence, presentation, and associated factors.
Methods And Results: We analysed 40 cases of ADH from 1626 male breast cases encountered between 2013 and 2023.
Versatile nanomaterials used in combatting biofilm infections.
Nanomedicine (Lond)
January 2025
Department of Surgery-Transplant and Mary & Dick Holland Regenerative Medicine Program, College of Medicine, University of Nebraska Medical Center, Omaha, NE, USA.
Microbial infections are a pressing global health issue, exacerbated by the rise of antibiotic-resistant bacteria due to widespread antibiotic overuse. This resistance diminishes the effectiveness of current treatments, intensifying the need for new antimicrobial agents and innovative drug delivery strategies. Nanotechnology presents promising solutions, leveraging the unique properties of nanomaterials such as tunable optical and electronic characteristics, nanoscale size, and high surface-to-volume ratios.
View Article and Find Full Text PDFBackground: Esophageal and gastric cancer were among the top 10 most common cancers worldwide. In addition, sex-specific differences were observed in the incidence. Due to their anatomic proximity, the 2 cancers have both different but also shared risk factors and epidemiological features.
View Article and Find Full Text PDFBackground: To evaluate the associations between anatomical changes and visual outcomes after membrane peeling in eyes with different stages of idiopathic epiretinal membrane (iERM) using optical coherence tomography angiography (OCTA).
Methods: All iERM eyes were graded into four stages based on the presence of ectopic inner foveal layers (EIFL) and underwent 23-gauge vitrectomy combined with ERM and internal limiting membrane (ILM) peeling, while their fellow eyes were treated as the control group. OCTA was used to measure retinal thickness(RT), foveal avascular zone (FAZ)-related parameters and superficial and deep capillary plexus (SCP and DCP) layers using 6 × 6 mm scans before, 1 month and 3 months after surgery.
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