Hemagglutinin (HA) mediated fusion of influenza virus envelope with host lipid membrane is a critical step warrantying virus entry to the cell. Despite tremendous advances in structural biology methods, the knowledge concerning the details of HA2 subunit insertion into the target membrane and its subsequent bilayer perturbing effect is still rather limited. Herein, based on a set of molecular dynamics simulations, we investigate the structure and interaction with lipid membrane of the N-terminal HA2 region comprising a trimer of fusion peptides (HAfps) tethered by flexible linkers to a fragment of coiled-coil stem structure. We find that, prior to insertion into the membrane, HAfps within the trimers do not sample space individually but rather associate into a compact hydrophobic aggregate. Once within the membrane, they fold into tight helical hairpins, which remain at the lipid-water interface. However, they can also assume stable, membrane-spanning configurations of significantly increased membrane-perturbing potential. In this latter case, HAfps trimers centre around the well-hydrated transmembrane channel-forming distinct, symmetric assemblies, whose wedge-like shape may play a role in promoting membrane curvature. We also demonstrate that, following HAfps insertion, the coiled-coil stem spontaneously tilts to almost membrane-parallel orientation, reflecting experimentally observed configuration adopted in the course of membrane fusion by complete HA2 units at the rim of membrane contact zones.
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http://dx.doi.org/10.3389/fmolb.2022.826366 | DOI Listing |
Environ Sci Technol
January 2025
Environmental Protection Research Institute, Sinopec (Beijing) Research Institute of Chemical Industry Co., Ltd., Beijing 100013, China.
The removal of antimony from wastewater using traditional methods such as adsorption and membrane filtration generates large amounts of antimony-containing hazardous wastes, posing significant environmental threats. This study proposed a new treatment strategy to reductively remove and recover antimony from wastewater using an advanced UV/sulfite reduction process in the form of valuable strategic metalloid antimony (Sb(0)), thus preventing hazardous waste generation. The results indicated that more than 99.
View Article and Find Full Text PDFEnviron Sci Technol
January 2025
Shandong Key Laboratory of Water Pollution Control and Resource Reuse, School of Environmental Science and Engineering, Shandong University, Qingdao 266237, P. R. China.
Membrane distillation (MD) efficiently desalinizes and treats high-salinity water as well as addresses the challenges in handling concentrated brines and wastewater. However, silica scaling impeded the effectiveness of MD for treating hypersaline water and wastewater. Herein, the effects of humic acid (HA) on silica scaling behavior during MD are systematically investigated.
View Article and Find Full Text PDFEnviron Sci Technol
January 2025
Jiangsu Key Laboratory of Anaerobic Biotechnology, School of Environment and Ecology, Jiangnan University, Wuxi 214122, PR China.
Thin-film composite (TFC) membrane has been extensively utilized and investigated for its excellent properties. Herein, we have constructed an active layer (AL) containing cave-like structures utilizing large meniscus interface. Furthermore, the impact of interface structure on the growth process, morphology, and effective surface area of AL has been fully explored with the assistance of sodium dodecyl benzenesulfonate (SDBS).
View Article and Find Full Text PDFEmergencias
December 2024
Department of Emergency Medicine, Samsung Medical Center, Sungkyunkwan University School of Medicine, Seúl, República de Corea. Department of Digital Health, SAIHST, Sungkyunkwan University, Seúl, República de Corea.
Objective: To develop a Metabolic Derangement Score (MDS) based on parameters available after initial testing and assess the score's ability to predict survival after out-of hospital cardiac arrest (OHCA) and the likely usefulness of extracorporeal life support (ECLS).
Methods: A total of 5100 cases in the Korean Cardiac Arrest Research Consortium registry were included. Patients' mean age was 67 years, and 69% were men.
J Chem Theory Comput
January 2025
IBiTech - BioMMedA Group, Ghent University, Corneel Heymanslaan 10, Entrance 98, 9000 Gent, Belgium.
Molecular oxygen (O) is essential for life, and continuous effort has been made to understand its pathways in cellular respiration with all-atom (AA) molecular dynamics (MD) simulations of, e.g., membrane permeation or binding to proteins.
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