-Oxide Insertion into LDA Dimeric Aggregates for Azomethine Ylide Formation: Explicit Solvation in Quantum Mechanical Treatment of Polarized Intermediates.

The physical model used to compute natural phenomena is crucial for accurate structural and mechanism elucidation. Specifically, we examine the mechanistic consequences of an explicit LDA dimer, THF, and -oxide aggregate formation at the rate-limiting step for two competing reaction pathways involving nitrogen-oxygen dissociation and alpha-hydrogen deprotonation for azomethine ylide formation. We compute the free energies of activation using the M06-2x, B3LYP, and HCTH407 functionals and second-order Møller-Plesset perturbation theory with Dunning's correlation consistent basis sets cc-pV[D,T]Z, and corrected entropy by using Whitesides' free volume theory.

DeleteomeTools: utilizing a compendium of yeast deletion strain transcriptomes to identify co-functional genes.

We introduce DeleteomeTools, an R package that leverages the Deleteome compendium of yeast single-gene deletion transcriptomes to predict gene function. Primarily, the package provides functions for identifying similarities between the transcriptomic signatures of deletion strains, thereby associating genes of interest with others that may be functionally related. We describe how our software predicted a novel relationship between the yeast nucleoporin Nup170 and the Ctf18-RFC complex, which was confirmed experimentally, revealing a previously unknown link between nuclear pore complexes and the DNA replication machinery.

Machine Learning Predicts Bleeding Risk in Atrial Fibrillation Patients on Direct Oral Anticoagulant.

Predicting major bleeding in nonvalvular atrial fibrillation (AF) patients on direct oral anticoagulants (DOACs) is crucial for personalized care. Alternatives like left atrial appendage closure devices lower stroke risk with fewer nonprocedural bleeds. This study compares machine learning (ML) models with conventional bleeding risk scores (HAS-BLED, ORBIT, and ATRIA) for predicting bleeding events requiring hospitalization in AF patients on DOACs at their index cardiologist visit.

Health Equity and Emergency Colorectal Surgery in the United States: A Scoping Review.

Introduction: The emergency colorectal surgery population represents one of the most vulnerable subsets of the larger emergency general surgery population, characterized by increased complication rates, mortality rates, health resource utilization, and hospitalization costs. Disparities and inequities are documented for the emergency general surgery population and its emergency colorectal subset. Addressing health inequities can lead to decreased costs and improvement in patient outcomes; however, it is important to have a full scope of drivers of health inequities in different populations.