BACKGROUND: Recent years have seen enormous progress in the development of methods for modeling (bio)molecular systems. This has allowed for the simulation of ever larger and more complex systems. However, as such complexity increases, the requirements needed for these models to be accurate and physically meaningful become more and more difficult to fulfill. The use of simplified models to describ

Pseudomonas aeruginosa arylsulfatase (PAS) is a bacterial sulfatase capable of hydrolyzing a range of sulfate esters. Recently, it has been demonstrated to also show very high proficiency for phosphate ester hydrolysis. Such proficient catalytic promiscuity is significant, as promiscuity has been suggested to play an important role in enzyme evolution. Additionally, a comparative study of the hydr

Eftersom energisystemet i världen, och inte minst i Sverige, är i en tid av förändring kommer utvecklingen leda till ett ökat behov av anpassning. Sverige har som mål att år 2040 uppnå 100 procent förnybar elproduktion och detta kommer oundvikligen leda till en ökad andel intermittent kraft i elmixen. Redan märks den ökade intermittensen i elpriserna och vilket kan leda till ökade priser för konsuReact to the prices! Demand response within the real estate sector. More wind power, more solar power, no more fossil fuels, more electrification! All of these are goals the majority of us would agree on. But wait, it is cold, it is dark but it is not windy, prices are going up. It's warm, it is sunny, we don't need heating, prices are going down. In today's society we are all depende

Aims: Men are more likely to suffer a myocardial infarction than women, but population-based studies on sex differences in imaging-detected atherosclerosis are lacking. The aims were to assess sex differences in the prevalence of imaging-detected coronary and carotid atherosclerosis, as well as multivariable adjusted associations between sex and atherosclerosis. Methods and results: Participants a

In recent years, there has been a wave of opposition to feminism, gender equality, and minority rights in various national and international contexts. While there is a growing number of works that examine anti-gender campaigns, less attention has been devoted to the potential consequences of the anti-gender mobilizations for the internal relations within socially progressive (feminist and LGBTQ+)

We study dialectal influence and gender marking in 25 bilectal children and 11 adults speaking Italian and Venetan, based on an elicited production task (EPT) in each of the two varieties. The children are between 5 and 11 years old and vary with respect to their reported use of the dialect at home. The results of the EPT show that the children produce only Italian DPs in the Italian experiment, w

Background: Perfluorinated alkyl substances (PFAS) are suggested to impair immune function in children. Previous studies investigating associations between prenatal PFAS exposure and common infections were performed in background-exposed populations whilst studies from high-exposed populations are lacking. Objectives: To investigate the association between prenatal PFAS exposure from contaminated

Successful eradication or control of prevailing infectious diseases is linked to vaccine efficacy, stability, and distribution. The majority of protein-based vaccines are transported at fridge (2–8 °C) temperatures, cold chain, to retain potency. However, this has been shown to be problematic. Proteins are inherently susceptible to thermal fluctuations, occurring during transportation, causing the

Collective social and political imaginaries of energy transitions are underpinned by a particular temporality of linear, teleological paths of progress and modernity, conjuring an abstract future. But what happens when the future is suddenly here? Drawing on sociological and related literatures on ruination and decay, this article offers insights into how different actors respond when they find th

In 2021 a disinformation campaign called the LVU campaign, spread and highlighted a lack of trust in Swedish authorities. One initiative working on the trust issue is Dialog med socialtjänsten (Dialogue with Social Services), a project in Malmö City. The project aims to increase the understanding of social services work and strengthen relationships between Malmö residents and social services. The

Potato epoxide hydrolase 1 (StEH1) is a biocatalytically important enzyme that exhibits rich enantio- and regioselectivity in the hydrolysis of chiral epoxide substrates. In particular, StEH1 has been demonstrated to enantioconvergently hydrolyze racemic mixes of styrene oxide (SO) to yield (R)-1-phenylethanediol. This work combines computational, crystallographic and biochemical analyses to under

Catalytic promiscuity, that is, the ability of single enzymes to facilitate the turnover of multiple, chemically distinct substrates, is a widespread phenomenon that plays an important role in the evolution of enzyme function. Additionally, such pre-existing multifunctionality can be harnessed in artificial enzyme design. The members of the alkaline phosphatase superfamily have served extensively

Recent experimental work (J. Org. Chem., 2012, 77, 5829) demonstrated pronounced differences in measured thio-effects for the hydrolysis of (thio)phosphodichloridates by water and hydroxide nucleophiles. In the present work, we have performed detailed quantum chemical calculations of these reactions, with the aim of rationalizing the molecular bases for this discrimination. The calculations highli

Enzymes that hydrolyze GTP are currently in the spotlight, due to their molecular switch mechanism that controls many cellular processes. One of the best-known classes of these enzymes are small GTPases such as members of the Ras superfamily, which catalyze the hydrolysis of the γ-phosphate bond in GTP. In addition, the availability of an increasing number of crystal structures of translational GT

The translational GTPases hydrolyze GTP on the ribosome at several stages of the protein synthesis cycle. Because of the strong conservation of their catalytic center, these enzymes are expected to operate through a universal hydrolysis mechanism, in which a critical histidine residue together with the sarcin-ricin loop of the large ribosomal subunit is necessary for GTPase activation. Here we exa

En vetenskapligt uppdaterad översikt av industriella revolutionen, med fokus på de inledande faserna i Storbritannien