Revisiting Artifacts of Kohn-Sham Density Functionals for Biosimulation.

We revisit the problem of unphysical charge density delocalization/fractionalization induced by the self-interaction error of common approximate Kohn-Sham (KS) density functional theory functionals on simulation of small to medium-sized proteins in a vacuum. Aside from producing unphysical electron densities and total energies, the vanishing of the HOMO-LUMO gap associated with the unphysical charge delocalization leads to an unphysical low-energy spectrum and catastrophic failure of most popular solvers for the KS self-consistent field (SCF) problem. We apply a robust quasi-Newton SCF solver [ 2024, 26, 6557] to obtain solutions for some of these difficult cases.

PIBF1 regulates trophoblast syncytialization and promotes cardiovascular development.

Proper placental development in early pregnancy ensures a positive outcome later on. The developmental relationship between the placenta and embryonic organs, such as the heart, is crucial for a normal pregnancy. However, the mechanism through which the placenta influences the development of embryonic organs remains unclear.

Breast Trauma: A United States-Based Epidemiological Study From 2016 to 2019.

Background  Breast trauma is an often under-recognized injury, especially in female polytrauma patients. The purpose of this study was to assess the prevalence of breast injuries and their association with injury severity score (ISS) in trauma patients nationally.  Method A retrospective review was performed using data from the National Trauma Data Bank® (NTDB®) from 2016 to 2019, using all applicable International Classification of Diseases (ICD) codes for three outlined subgroups (abrasions, contusions, and open wounds/punctures/lacerations) with minors excluded.

Effect of 10 Minutes of Prewarming and Prewarmed Intravenous Fluid Administration on the Core Temperature of Patients Undergoing Transurethral Surgery under General Anesthesia.

Patients undergoing transurethral urologic procedures using bladder irrigation are at increased risk of perioperative hypothermia. Thirty minutes of prewarming prevents perioperative hypothermia. However, its routine application is impractical.