Timing of acute decompensated heart failure in patients with heart failure and mildly reduced ejection fraction.

This study investigates the prognosis of acute decompensated heart failure (ADHF) on admission (i.e., primary ADHF) as compared to ADHF onset during course of hospitalization (i.

'Captivating voices': evaluation of a patient-centred animated video on excessive physical exercise and eating disorders.

This project aimed to evaluate the acceptance of a short, animated video addressing excessive exercise within the context of eating disorder (ED) behaviours among diverse target groups, assess its impact and explore potential associations with disordered eating risk. An online survey was conducted, recruiting 170 participants who were shown a 3-minute and 11-second long animated video portraying narratives of individuals with lived experiences related to excessive exercise and ED. Participants provided demographic information, engaged in the video evaluation answering a 9-item questionnaire and completed a subsequent ED screening and a drive for muscularity questionnaire.

Controlled Introduction of sp3 Quantum Defects in Fluorescent Carbon Nanotubes by Mechanochemistry.

Precise control over low-dimensional materials holds an immense potential for their applications in sensing, imaging and information processing. The controlled introduction of sp3 quantum defects (color centers) can be used to tailor the optoelectronic properties of single-walled carbon nanotubes (SWCNTs) in the tissue transparency (> 800 nm) and the telecommunication window. However, an uncontrolled functionalization of SWCNTs with defects leads to a loss of the NIR fluorescence.

Thromboembolic prophylaxis in bariatric and metabolic surgery: state-of-the-art according to the results of a nationwide registry study.

The present study employed a large scaled multicenter nationwide study data analysis to elucidate the impact of thromboembolism prophylaxis (TEP) in the context of bariatric and metabolic surgery and to investigate the peri- and postoperative complications associated with TEP. A total of 63,909 patients who underwent primary bariatric surgery between 2005 and 2020 were included in the analysis. The data were collected prospectively and multicentrically in the German Bariatric Surgery Registry (GBSR) and subsequently analyzed retrospectively.

Distinct Valence States of the [4Fe4S] Cluster Revealed in the Hydrogenase CrHydA1.

Iron-sulfur clusters play a crucial role in electron transfer for many essential enzymes, including [FeFe]-hydrogenases. This study focuses on the [4Fe4S] cluster ([4Fe]H) of the minimal [FeFe]-hydrogenase from Chlamydomonas reinhardtii (CrHydA1) and employs advanced spectroscopy, site-directed mutagenesis, molecular dynamics simulations, and QM/MM calculations. We provide insights into the complex electronic structure of [4Fe]H and its role in the catalytic reaction of CrHydA1, serving as paradigm for understanding [FeFe]-hydrogenases.

Mechanism of Fe(II) Chemisorption on Hematite(001) Revealed by Reactive Neural Network Potential Molecular Dynamics.

Atomic-scale understanding of important geochemical processes including sorption, dissolution, nucleation, and crystal growth is difficult to obtain from experimental measurements alone and would benefit from strong continuous progress in molecular simulation. To this end, we present a reactive neural network potential-based molecular dynamics approach to simulate the interaction of aqueous ions on mineral surfaces in contact with liquid water, taking Fe(II) on hematite(001) as a model system. We show that a single neural network potential predicts rate constants for water exchange for aqueous Fe(II) and for the exergonic chemisorption of aqueous Fe(II) on hematite(001) in good agreement with experimental observations.

Prognostic Implications of Sex in Patients With Heart Failure With Mildly Reduced Ejection Fraction: Results From a Large-Scaled Registry.

Background: The study investigates the prognostic impact of sex and sex-related differences in patients hospitalized with heart failure with mildly reduced ejection fraction (HFmrEF). More data regarding the characterization of patients and their outcomes in the presence of HFmrEF are needed.

Methods And Results: Consecutive patients hospitalized with HFmrEF (ie, left ventricular ejection fraction 41%-49% and signs or symptoms of HF) were retrospectively included at one institution from 2016 to 2022.

Initial Multicenter Experience With a Novel Self-Expanding TAVR System in Patients With Aortic Valve Stenosis.

Background: As transcatheter aortic valve replacement is performed increasingly in younger, low-risk patients, the need for commissural alignment and coronary access has increased. Design elements of the JenaValve Trilogy (JVT) transcatheter heart valve (THV) ensure both.

Objectives: This study sought to evaluate the outcome of patients with aortic stenosis (AS) treated with this novel transfemoral, self-expanding THV.

Middle-throughput LC-MS-based platelet proteomics with minute sample amounts using semi-automated positive pressure FASP in 384-well format (PF384).

Comprehensive characterization of platelets requires various functional assays and analysis techniques, including omics-disciplines, each requiring an individual aliquot of a given sample. Consequently, the sample material per assay is often highly limited rendering downscaling a prerequisite for effective sample exploitation. Here we present a transfer of our recently introduced 96-well-based proteomics workflow (PF96) into the 384-well format (PF384) allowing for a significant increase in sensitivity when processing minute platelet protein amounts.

Random Sampling Versus Active Learning Algorithms for Machine Learning Potentials of Quantum Liquid Water.

Training accurate machine learning potentials requires electronic structure data comprehensively covering the configurational space of the system of interest. As the construction of this data is computationally demanding, many schemes for identifying the most important structures have been proposed. Here, we compare the performance of high-dimensional neural network potentials (HDNNPs) for quantum liquid water at ambient conditions trained to data sets constructed using random sampling as well as various flavors of active learning based on query by committee.

[Do basic welfare payments in Germany cover the food costs of a healthy diet for children and adolescents?].

Introduction: Families in Germany who live in poverty receive citizens' benefits (Bürgergeld) within the context of welfare legislation. Basic rates for children and adolescents are included in these benefits and staggered into three groups according to age. The need for nutrition is the largest category of the basic rate.

Linear or Cyclic? Theoretical Investigation of Astrophysically Relevant Magnesium-Bearing MgCH Carbon Chains and Related Isomers.

Magnesium-containing molecules, including MgCH, MgCH, and MgCH, have been detected in the interstellar medium, largely facilitated by their high dipole moments. However, despite great efforts, MgCH species remain elusive. Given the challenges in obtaining experimental data for these molecules, theoretical studies play a crucial role in guiding their detection.

[Rapid Assessment of Future Pandemic Effects in Individuals with Severe Mental Illness: Can Ongoing Population-Representative Cohorts Contribute?].

To provide an overview of ongoing cohorts including severely mentally ill patients to study collateral effects of pandemics.Systematic literature search.None of the ongoing German health cohorts includes people with severe mental illness (SMI).

Binding the Power of Cycloaddition and Cross-Coupling in a Single Mechanism: An Unexpected Bending Journey to Radical Chemistry of Butadiynyl with Conjugated Dienes.

What if an experiment could combine the power of cycloaddition and cross-coupling with the formation of an aromatic molecule in a single collision? Crossed molecular beam experiments augmented with electronic structure and statistical calculations provided compelling evidence on a novel radical route involving 1,3-butadiynyl (HCCCC; X∑) radicals synthesizing (substituted) arylacetylenes in the gas phase upon reactions with 1,3-butadiene (CHCHCHCH; XA) and 2-methyl-1,3-butadiene (isoprene; CHC(CH)CHCH; XA'). This elegant mechanism merges two previously disconnected concepts of cross-coupling and cycloaddition-aromatization in a single collision event via the formation of two new C(sp)-C(sp) bonds and bending the 180° moiety of the linear 1,3-butadiynyl radical out of the ordinary by 60° to 120°. In addition to its importance to fundamental organic chemistry, this unconventional mechanism links two previously separated routes of gas-phase molecular mass growth processes of polyacetylenes and polycyclic aromatic hydrocarbons (PAHs), respectively, in low-temperature environments such as in cold molecular clouds like the Taurus Molecular Cloud (TMC-1) and in hydrocarbon-rich atmospheres of planets and their moons such as Titan, which revises the established understanding of low-temperature molecular mass growth processes in the Universe.

COping with Rheumatic Stressors (CORS) questionnaire: validated German translation and cross-cultural adaptation for patients with axSpA.

Background: Patients with Rheumatic and Musculoskeletal Diseases, including axial spondyloarthritis (axSpA), may suffer from stressors like pain and functional impairments leading to limitations in their self-perceived health status. The COping with Rheumatic Stressors (CORS) questionnaire was developed to analyze how patients cope with these stressors. The CORS is currently not available in German.

Geometric Effects on C-C Coupling of Aryl-Carbenes under 2D Confinement.

It is well established that the confinement of reactants to two dimensions influences their reactivity. However, such confinement is often dominated by charge transfer effects between the reactants and the confining walls, in particular if the walls are conductive. Also, the reactivity of carbenes on metal surfaces is significantly affected by the charge transfer between the carbene and the metal, rendering the carbene more nucleophilic or electrophilic.

Highly Flexible Methyl Cellulose/Gelatin Hydrogels for Potential Cartilage Tissue Engineering Applications.

Cartilage damage resulting from trauma demonstrates a poor capacity for repair due to its avascular nature. Cartilage tissue engineering offers a unique therapeutic option for cartilage recovery. In this study, methylcellulose (MC)/gelatin (GEL) hydrogels (MC10G20, MC12.

[Septic musculoskeletal complications under immunomodulating treatment].

Infections are an important cause of morbidity and mortality in patients with inflammatory rheumatic diseases. Among these, musculoskeletal infections represent a relevant proportion as patients with rheumatoid arthritis face an increased risk of developing septic arthritis and prosthesis infections. The causes are multifactorial.

A dual experimental-theoretical perspective on ESPT photoacids and their challenges ahead.

Photoacids undergo an increase in acidity upon electronic excitation, enabling excited-state proton transfer (ESPT) reactions. A multitude of compounds that allow ESPT has been identified and integrated in numerous applications, as is outlined by reviewing the rich history of photoacid research reaching back more than 90 years. In particular, achievements together with ambitions and challenges are highlighted from a combined experimental and theoretical perspective.