Influence of an external electric field on the deprotonation reactions of an Fe-solvated molecule: a reactive molecular dynamics study.

The influence of an external electric field (EEF) on the deprotonation reaction of Fe3+-solvated molecules was studied using reactive molecular dynamics (ReaxFF MD) simulations. It was examined in terms of changes in structural properties, kinetics, system energy, and reaction products under an EEF, and the results were further verified experimentally. The research results show that the presence of an EEF will affect the distribution of water molecules around Fe3+ and provide energy for the fracturing of O-H bonds.

Twist overexpression promoted epithelial-to-mesenchymal transition of human peritoneal mesothelial cells under high glucose.

Background: Long-term peritoneal dialysis (PD) results in functional and structural alterations of the peritoneal membrane. Previous studies have suggested that high glucose (HG) could induce transdifferentiation of peritoneal mesothelial cells into myofibroblasts, but the molecular mechanisms of HG-induced epithelial-to-mesenchymal transition (EMT) of human peritoneal mesothelial cells (HPMCs) are unclear. This study was undertaken to elucidate the effects and mechanisms of Twist on HG-induced EMT of HPMCs.