Running Through the Haze: How Wildfire Smoke Affects Physical Activity and Mental Well-Being.

Background: With a warming climate, extreme wildfires are more likely to occur, which may adversely affect air quality, physical activity (PA), and therefore, mental well-being.

Methods: We assessed PA engagement and mental well-being between periods with and without wildfire smoke, and whether there were associations between changes in PA behavior and mental well-being. Questionnaires on PA and mental well-being during a period of wildfire smoke were completed by 348 participants; of these participants, 162 also completed a follow-up PA and mental well-being questionnaire during a period without wildfire smoke.

The seventh blind test of crystal structure prediction: structure generation methods.

A seventh blind test of crystal structure prediction was organized by the Cambridge Crystallographic Data Centre featuring seven target systems of varying complexity: a silicon and iodine-containing molecule, a copper coordination complex, a near-rigid molecule, a cocrystal, a polymorphic small agrochemical, a highly flexible polymorphic drug candidate, and a polymorphic morpholine salt. In this first of two parts focusing on structure generation methods, many crystal structure prediction (CSP) methods performed well for the small but flexible agrochemical compound, successfully reproducing the experimentally observed crystal structures, while few groups were successful for the systems of higher complexity. A powder X-ray diffraction (PXRD) assisted exercise demonstrated the use of CSP in successfully determining a crystal structure from a low-quality PXRD pattern.

Aliado - A design concept of AI for decision support in oncological liver surgery.

Background: The interest in artificial intelligence (AI) is increasing. Systematic reviews suggest that there are many machine learning algorithms in surgery, however, only a minority of the studies integrate AI applications in clinical workflows. Our objective was to design and evaluate a concept to use different kinds of AI for decision support in oncological liver surgery along the treatment path.