Atomic Adsorption Energies Prediction on Bimetallic Transition Metal Surfaces Using an Interpretable Machine Learning-Accelerated Density Functional Theory Approach.

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.

Environment scan of generative AI infrastructure for clinical and translational science.

This study reports a comprehensive environmental scan of the generative AI (GenAI) infrastructure in the national network for clinical and translational science across 36 institutions supported by the CTSA Program led by the National Center for Advancing Translational Sciences (NCATS) of the National Institutes of Health (NIH) at the United States. Key findings indicate a diverse range of institutional strategies, with most organizations in the experimental phase of GenAI deployment. The results underscore the need for a more coordinated approach to GenAI governance, emphasizing collaboration among senior leaders, clinicians, information technology staff, and researchers.

The association of travel distance and other patient characteristics with breast cancer stage at diagnosis and treatment completion at a rural Rwandan cancer facility.

Background: Butaro Cancer Center of Excellence (BCCOE) was founded to serve Rwanda's rural low-income population, providing subsidized cancer diagnosis and treatment with transport stipends for the lowest-income patients. We examined whether travel distance to BCCOE was associated with advanced-stage diagnoses and treatment completion.

Methods: We conducted a retrospective cohort study using medical record data from BCCOE patients with pathologically-confirmed breast cancer from 2012-2016.

Nano- and meso-scale aggregation of poly(N-isopropylacrylamide) below the lower critical solution temperature: A wide-angle dynamic light scattering study.

Poly-N-isopropylacrylamide (PNIPAm), a thermorresponsive polymer, highly soluble in water below its lower critical solution temperature (LCST), is widely used in biomedical applications like drug delivery. Being able to measure PNIPAm size and aggregation state in solution quickly, inexpensively, and accurately below the LCST is critical when stoichiometric particle or molecular ratios are required. Dynamic light scattering (DLS) is probably the most widely available, and inexpensive nanoparticle sizing technique, but there are limitations with respect to sample polydispersity.

Geographic Distribution of Vaccinia Virus, Diagnosis and Demographic Aspects of Affected Populations, Minas Gerais, Brazil, 2000-2023.

Since its first report in Brazil in 1999, outbreaks of exanthematous diseases caused by vaccinia virus (VACV) have been a recurring concern, particularly impacting rural regions. Minas Gerais (MG) State, Brazil, has emerged as the epicenter of bovine vaccinia (BV) outbreaks. This study presents a comprehensive overview of VACV circulation in MG State over the past two decades, examining the occurrence and distribution of poxvirus cases and outbreaks and the demographic characteristics of affected populations.