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We investigate specific anion binding to a range of patchy protein models and use our results to probe protein-protein interactions for aqueous lysozyme solutions. Our molecular simulation studies show that the ion-protein interaction mechanism and strength largely depend on the nature of the interfacial amino acid residues. Via direct ion pairing, small anions interact with charged side-chains wh
Using molecular dynamics simulations in an explicit aqueous solvent, we examine the binding of fluoride versus iodide to a spherical macromolecule with both hydrophobic and positively charged patches. Rationalizing our observations, we divide the ion association interaction into two mechanisms: (1) poorly solvated iodide ions are attracted to hydrophobic surface patches, while (2) the strongly sol
For a series of biologically relevant anions, we present free energy changes upon replacing potassium with sodium in a contact ion pair. Calculations performed using a combination of molecular dynamics simulations and ab initio methods demonstrate the ordering of anions in a Hofmeister series. Small anionic groups such as carboxylates preferentially pair with sodium, while intermediate cases such
Proteins in the living cell can interact with a wide variety of solutes, ranging from ions, peptides, other proteins, DNA to membranes. Charged groups play a major role and solution conditions such as pH and ionic strength can modulate the interactions significantly. Describing these systems in a statistical mechanical framework involves thousands of pair-interactions and therefore a certain amoun
The discovery of high-order harmonic generation (HHG) has made it possible to see the electron dynamics on their natural time scale, attoseconds. In the HHG process, a femtosecond infrared (IR) laser pulse is converted into a train of attosecond pulses in the extreme ultraviolet (XUV), but with a very low conversion efficiency. The low intensity has to be used efficiently and that means keeping th
Many applications of the extreme ultraviolet (XUV) radiation obtained by high-order harmonic generation (HHG) in gases require a small focus area in order to enable attosecond pulses to reach a high intensity. Here, high-order harmonics generated in Ar with a multiterawatt laser system in a loose focusing geometry are focused to a few micrometers using two toroidal mirrors in a Wolter configuratio
Blame (vituperation) is a rhetorical practice well-known in classical Rhetoric, and to orators of the first century C.E. Following an overview of vituperation in classical handbooks, the study presents on overview of vituperation in select New Testament texts, including a gospel and letters of Paul. Similarities with President Donald Trump's rhetoric are noted and both ancient and contemporary use
BACKGROUND Valid and reliable assessment of skills is essential for improved and evidence-based training concepts. In a recent study, we presented a novel tool to assess procedural skills in resuscitative endovascular balloon occlusion of the aorta (REBOA), REBOA-RATE, based on international expert consensus. Although expert consensus is a strong foundation, the performance of REBOA-RATE has not b
This review aimed to summarize and estimate the TB treatment success rate and factors associated with unsuccessful TB treatment outcomes in Africa. Potentially eligible primary studies were retrieved from PubMed and Google Scholar. The risk of bias and quality of studies was assessed using The Joanna Briggs Institute’s (JBI) appraisal criteria, while heterogeneity across studies was assessed using
In this study, we examined transporter genes in metagenomic and metatranscriptomic data from a time-series survey in the temperate marine environment of the Baltic Sea. We analyzed the abundance and taxonomic distribution of transporters in the 3μm–0.2μm size fraction comprising prokaryotes and some picoeukaryotes. The presence of specific transporter traits was shown to be guiding the succession
Lipid uptake can be facilitated via caveolae, specific plasma membrane invaginations abundantly expressed in adipocytes. The dynamin-related protein EH domain-containing 2 (EHD2) stabilizes caveolae at the cell surface. Here, we have examined the importance of EHD2 for lipid handling using primary adipocytes isolated from EHD2 knockout (Ehd2−/−) C57BL6/N mice. Following high-fat diet (HFD) feeding
Background: Patients with advanced-stage lung adenocarcinoma (LADC) often develop distant metastases in the skeletal system. Yet, the bone-specific metastasis pattern is still controversial. We, therefore, aimed to examine how the primary tumor location affects bone specificity and survival in LADC patients diagnosed with skeletal metastases. Methods: In total, 209 bone-metastatic Caucasian LADC p
Our understanding of the α-synuclein aggregation process and the consequences thereof is currently limited, which in turn prevents the development of targeted therapeutic interventions. The work presented here, as a part of this thesis, is focused on expanding our understanding of the molecular events involved in α-synuclein aggregation. Towards this goal we have studied the impact of pathological
"Abstract in Italian": La post-verità dei discorsi politici, esemplificata nella retorica di Trump, non si basa principalmente sui fatti. Ciò che sembra essere importante, quando l’elettorato valuta questi discorsi, è se i politici che parlano sono veritieri o autentici, non se ogni parola pronunciata è ‘vera’. Pertanto, le valutazioni critiche dei discorsi politici populisti dovrebbero iniziare pPost-truth political discourses, exemplified by Trump’s rhetoric, are not primarily based on facts. What appears to be important when the electorate evaluates these discourses is whether the politicians who are speaking are genuine or authentic, not whether every word uttered is ‘true’. Therefore, critical evaluations of populist political discourses should begin by asking questions about what kin
Many exegetes set out to analyse not only rhetorical features in Galatians but also other features relating to Paul’s argumentation. Still, the use of insights from modern argumentation theory has been modest and no full-fledged argumentation analyses of Paul’s argumentation have yet been attempted. However, modern methods for argumentation analysis provide useful tools for such an undertaking. UsMany exegetes set out to analyse not only rhetorical features in Galatians but also other features relating to Paul’s argumentation. Still, the use of insights from modern argumentation theory has been modest and no full-fledged argumentation analyses of Paul’s argumentation have yet been attempted. However, modern methods for argumentation analysis provide useful tools for such an undertaking. Us
Objective: One of the more important objectives with the patient choice reform, introducing non-price competition in Swedish primary healthcare, was to improve performance and quality of care. However, in order for choice to lead to quality improvements, citizens need to consider quality aspects in their choices of provider. We hypothesize that quality of care influences choice of provider and the
