[Adrenal crisis in a child].

Background: Primary adrenal insufficiency is relatively common in children, but primary presentation with acute shock/adrenal crisis is rare. Congenital adrenal hyperplasia (CAH) is the most common cause in children and is part of the newborn diagnostic screening programme in Norway.

Case Presentation: We admitted a schoolgirl with a history of nausea and morning sickness for the previous three weeks.

CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations.

CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular, and biological systems. It is especially aimed at massively parallel and linear-scaling electronic structure methods and state-of-the-art ab initio molecular dynamics simulations. Excellent performance for electronic structure calculations is achieved using novel algorithms implemented for modern high-performance computing systems.

Diabatic model for electrochemical hydrogen evolution based on constrained DFT configuration interaction.

The accuracy of density functional theory (DFT) based kinetic models for electrocatalysis is diminished by spurious electron delocalization effects, which manifest as uncertainties in the predicted values of reaction and activation energies. In this work, we present a constrained DFT (CDFT) approach to alleviate overdelocalization effects in the Volmer-Heyrovsky mechanism of the hydrogen evolution reaction (HER). This method is applied to configurations sampled along a reaction path to correct their relative stabilities.

Metabolic adaptation of a Chlamydomonas acidophila strain isolated from acid mine drainage ponds with low eukaryotic diversity.

The diversity and biological characteristics of eukaryotic communities within acid mine drainage (AMD) sites is less well studied than for prokaryotic communities. Furthermore, for many eukaryotic extremophiles the potential mechanisms of adaptation are unclear. This study describes an evaluation of eight highly acidic (pH 1.

Hydrogen adsorption on MoS-surfaces: a DFT study on preferential sites and the effect of sulfur and hydrogen coverage.

We report a comprehensive computational study of the intricate structure-property relationships governing the hydrogen adsorption trends on MoS edges with varying S- and H-coverages, as well as provide insights into the role of individual adsorption sites. Additionally, the effect of single- and dual S-vacancies in the basal plane on the adsorption energetics is assessed, likewise with an emphasis on the H-coverage dependency. The employed edge/site-selective approach reveals significant variations in the adsorption free energies, ranging between ∼±1.