Background: A well-established causal relationship exists between alcohol consumption in a population and the frequency of accidents. Since 1975 the German Federal Statistical Office has systematically recorded data on traffic accidents involving personal injuries as reported by the police: however, these data are likely to underestimate the true burden due to incomplete testing of blood ethanol levels among the individuals involved. Emergency department-based studies provide a more accurate framework for investigating alcohol-related accidents and injuries.
View Article and Find Full Text PDFJ Chem Theory Comput
June 2025
Halogen-π interactions play a pivotal role in molecular recognition processes, drug design, and therapeutic strategies, providing unique opportunities for enhancing and fine-tuning the binding affinity and specificity of pharmaceutical agents. The present study systematically benchmarks various combinations of quantum mechanical (QM) methods and basis sets to characterize halogen-π interactions in model systems. We evaluate both density functional theory (DFT) methods and wave function-based post-HF methods in terms of accuracy to reference calculations at the CCSD(T)/CBS level of theory and runtime efficiency.
View Article and Find Full Text PDFIn 2023, the Hugo robotic-assisted surgery system was introduced to the field of general and visceral surgery. The Hugo robotic-assisted surgery system promises to further improve robotic surgery, through its modularity, flexibility, and open console design. However, due to the novelty of the system, there is currently little experience in its clinical application.
View Article and Find Full Text PDFPurpose: The purpose of this study was to assess the feasibility of transitioning from open to laparoscopic surgery for colorectal carcinoma in a primary care hospital setting. Despite the recognized benefits of laparoscopic surgery in postoperative recovery and its demonstrated oncological equivalence, only a minority of patients (30-40%) in Germany undergo laparoscopic procedures, primarily due to concerns which, in addition to the perioperative quality data and economic aspects, focus on patient safety.
Methods: Over a three-year period (2012-2014), the transformation process was observed in a colorectal cancer center.
Magn Reson Med
March 2025
Purpose: Demonstration of a high dynamic-range and high SNR method for acquiring absolute maps from a combination of gradient echo and actual-flip-angle measurements that is especially useful during the construction of parallel-transmit arrays.
Methods: Low flip angle gradient echo images, acquired when transmitting with each channel individually, are used to compute relative maps. Instead of computing these in a conventional manner, the equivalence of the problem to the ESPIRiT parallel image reconstruction method is used to compute maps with a higher SNR.
Continuous flow magnetophoresis represents a common technique for actively separating particles within a fluid. For separation systems design, accurately predicting particle behaviour helps to characterise system performance, typically measured by the separation efficiency (SE). While finite element method (FEM) simulations offer high accuracy, they demand extensive computational resources.
View Article and Find Full Text PDFHalogen bonding is a valuable interaction in drug design, offering an unconventional way to influence affinity and selectivity by leveraging the halogen atoms' ability to form directional bonds. The present study evaluates halogen-water interactions within protein binding sites, demonstrating that targeting a water molecule via halogen bonding can in specific cases contribute beneficially to ligand binding. In solving and examining the crystal structure of 2-cyclopentyl-7-iodo-1-indole-3-carbonitrile bound to DYRK1a kinase, we identified a notable iodine-water interaction, where water accepts a halogen bond with good geometric and energetic features.
View Article and Find Full Text PDFDisaster Med Public Health Prep
September 2024
Objective: Chemical, biological, radiological, and nuclear (CBRN) events with multiple casualties are rare events, but preparedness is crucial for hospitals to respond properly. This study evaluated the preparedness and disaster planning of German hospitals for CBRN incidents.
Methods: In a cross-sectional study, German hospitals with level III (highest level) emergency departments were surveyed using an online questionnaire focusing on risk assessment, infrastructure, hospital disaster planning, and preparedness for CBRN events.
Purpose: To introduce quantitative rapid gradient-echo (QRAGE), a novel approach for the simultaneous mapping of multiple quantitative MRI parameters, including water content, T, T*, and magnetic susceptibility at ultrahigh field strength.
Methods: QRAGE leverages a newly developed multi-echo MPnRAGE sequence, facilitating the acquisition of 171 distinct contrast images across a range of TI and TE points. To maintain a short acquisition time, we introduce MIRAGE2, a novel model-based reconstruction method that exploits prior knowledge of temporal signal evolution, represented as damped complex exponentials.
Increased attention has been given to MRI in radiation-free screening for malignant nodules in recent years. Our objective was to compare the performance of human readers and radiomic feature analysis based on stand-alone and complementary CT and MRI imaging in classifying pulmonary nodules. This single-center study comprises patients with CT findings of pulmonary nodules who underwent additional lung MRI and whose nodules were classified as benign/malignant by resection.
View Article and Find Full Text PDFBackground: The aim of this study was to investigate whether bioactive adrenomedullin (bio-ADM) and interleukin-6 (IL-6) are related to acute kidney injury (AKI) and severe illness in COVID-19 patients.
Methods: 153 patients with COVID-19 admitted to the emergency department (ED) were included. Blood samples were collected from each patient at admission.
There is a lack of training curricula and educational concepts for robotic-assisted surgery (RAS). It remains unclear how surgical residents can be trained in this new technology and how robotics can be integrated into surgical residency training. The conception of a training curriculum for RAS addressing surgical residents resulted in a three-step training curriculum including multimodal learning contents: basics and simulation training of RAS (step 1), laboratory training on the institutional robotic system (step 2) and structured on-patient training in the operating room (step 3).
View Article and Find Full Text PDFUnfallchirurgie (Heidelb)
December 2023
Tscherne was the first to define the term polytrauma in 1966 as "multiple injuries to different regions of the body sustained simultaneously, with at least one injury or the combination of these injuries being life-threatening". This definition highlights the essential pathophysiological paradigm of polytrauma, with the life-threating characteristics resulting from injuries to multiple organ systems. The treatment of polytrauma patients begins at the scene of the accident.
View Article and Find Full Text PDFBackground: Given that changes in brain water content are often correlated with disease, investigating water content non-invasively and in vivo could lead to a better understanding of the pathogenesis of several neurologic diseases.
Purpose: To adapt a super-resolution-based technique, previously developed for humans, to the rat brain and report in vivo high-resolution (HR) water content maps in comparison with ex vivo wet/dry methods.
Study Type: Prospective.
Coronavirus SARS-CoV-2 spread worldwide, causing a respiratory disease known as COVID-19. The aim of the present study was to examine whether Dipeptidyl-peptidase 3 (DPP3) and the inflammatory biomarkers IL-6, CRP, and leucocytes are associated with COVID-19 and able to predict the severity of pulmonary infiltrates in COVID-19 patients versus non-COVID-19 patients. 114 COVID-19 patients and 35 patients with respiratory infections other than SARS-CoV-2 were included in our prospective observational study.
View Article and Find Full Text PDFAs an orthogonal principle to the established (hetero)aryl halides, we herein highlight the usefulness of CFX (X = Cl, Br, or I) moieties. Using tool compounds bearing CFX moieties, we study their chemical/metabolic stability and their logP/solubility, as well as the role of XB in their small molecular crystal structures. Employing QM techniques, we analyze the observed interactions, provide insights into the conformational flexibilities and preferences in the potential interaction space.
View Article and Find Full Text PDFKidney Blood Press Res
December 2023
Introduction: The ongoing COVID-19 pandemic is placing an extraordinary burden on our health care system with its limited resources. Accurate triage of patients is necessary to ensure medical care for those most severely affected. In this regard, biomarkers could contribute to risk evaluation.
View Article and Find Full Text PDFIntroduction: Therapeutic peptides are a significant class of drugs in the treatment of a wide range of diseases. To enhance their properties, such as stability or binding affinity, they are usually chemically modified. This includes, among other techniques, cyclization of the peptide chain by bridging, modifications to the backbone, and incorporation of unnatural amino acids.
View Article and Find Full Text PDFInt J Colorectal Dis
January 2023
Purpose: Sigmoid resection for diverticular disease is a frequent surgical procedure in the Western world. However, long-term bowel function after sigmoid resection has been poorly described in the literature. This study aims to assess the long-term bowel function after tubular sigmoid resection with preservation of inferior mesenteric artery (IMA) for diverticular disease.
View Article and Find Full Text PDFThe cellular tumor antigen p53 is a key component in cell cycle control. The mutation Y220C heavily destabilizes the protein thermally but yields a druggable crevice. We have screened the diversity-optimized halogen-enriched fragment library against T-p53C-Y220C with STD-NMR and DSF to identify hits, which we validated by H,N-HSQC NMR.
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