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Release of halide ions is an essential step of the catalytic cycle of haloalkane dehalogenases. Here we describe experimentally and computationally the process of release of a halide anion from the buried active site of the haloalkane dehalogenase LinB. Using stopped-flow fluorescence analysis and umbrella sampling free energy calculations, we show that the anion binding is ion-specific and follow

Neutron diffraction with isotopic substitution was performed on aqueous solutions of isopropyl alcohol and isopropylamine. The difference between these two measurements primarily contains information about the different hydration of the alcohol and amino group. This data is used as a test of the accuracy of molecular dynamic simulations of the same systems. Having established the level of accuracy

Betaine-homocysteine S-methyltransferase (BHMT) is a zinc-dependent methyltransferase that uses betaine as the methyl donor for the remethylation of homocysteine to form methionine. This reaction supports S-adenosylmethionine biosynthesis, which is required for hundreds of methylation reactions in humans. Herein we report that BHMT is activated by potassium ions with an apparent KM for K+ of about

A combination of Fourier transform infrared and phase transition measurements as well as molecular computer simulations, and thermodynamic modeling were performed to probe the mechanisms by which guanidinium (Gnd+) salts influence the stability of the collapsed versus uncollapsed state of an elastin-like polypeptide (ELP), an uncharged thermoresponsive polymer. We found that the cation's action wa

Salting-out constants for triglycine were calculated for a series of Hofmeister salts using molecular dynamics simulations. Three variants of the peptide were considered with both termini capped, just the N-terminus capped, and without capping. The simulations were supported by NMR and FTIR measurements. The data provide strong evidence that previous experimental values of salting-out constants as

This research and policy brief focuses on conflict and displacement as key factorscontributing to statelessness and barriers to acquiring and holding Myanmar citizenship. The brief is designed as a working document for discussing important issues relevant for local governance during the revolution and national and state-level governance in the future. To aid in these conversations and policy devel

We use individual-level income data from archived taxation lists to study top-income earners in Sweden from 1909 to 1950. Using information on 21,055 individual taxpayers in two elite areas in greater Stockholm, we show that top incomes fell in real terms over this period, at a stable pace without obvious connection to the Great Depression or the world wars. The peak of inequality was related to tWe use individual-level income data from archived taxation lists to study top-income earners in Sweden from 1909 to 1950. Using information on 21,055 individual taxpayers in two elite areas in greater Stockholm, we show that top incomes fell in real terms over this period, at a stable pace without obvious connection to the Great Depression or the world wars. The peak of inequality was related to t

Pancreatic ductal adenocarcinoma (PDAC) is a lethal cancer lacking effective drugs and therefore new treatment targets are needed. In this study, we define the role of homeobox protein B6 (HOXB6) and HOXB8 in controlling pancreatic cancer tumorigenesis and immune response. Transcriptomic analysis comparing human embryonic and PDAC tissue identified a large overlap of expression profiles suggesting

Covid-19-pandemin aktualiserade frågor om smittskyddsåtgärder inom äldreomsorgen, särskilt i relation till isolering av äldre. Denna artikel undersöker de rättsliga hinder som finns för att införa isolering – förstådd som ett krav på minimala kontakter med omgivningen – som åtgärd för att begränsa smittspridning på äldreboenden. Artikeln söker i synnerhet besvara frågan om vissa isoleringsåtgärder

BACKGROUND: Food choice decisions are complex processes influenced by various factors that affect the family's diet and, thus, their health and nutrition. In low- and middle-income countries like Ethiopia, these factors are shaped by the ongoing nutrition transition, urbanization, and socio-economic challenges. Despite growing concerns about the double burden of malnutrition, the factors influenci

BackgroundDiagnostic imaging is a dynamic medical field. In nuclear medicine, advancements introduce new procedures utilising innovative radiopharmaceuticals. These developments may influence supply requirements and exposure levels for the patient population. Surveying the frequency of procedures, types of pharmaceuticals, and administered activities provides valuable insights into utilisation tre

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AIM: Factors associated with unexpected absence or presence of coronary atherosclerosis in individuals at high/low estimated cardiovascular (CV) risk are largely unexplored. We assessed two extreme phenotypes: 1) no coronary atherosclerosis despite very high CV risk; and 2) severe-extensive coronary atherosclerosis despite low CV risk.METHODS: A multicenter, cross-sectional nationwide, population-