The dynamics of a lipid bilayer of 1-palmitoyl-2-oleoyl-glycero-3-phospho-ethanolamine, POPE, is investigated under the effect of two electric field intensities. The box of 720 lipids and 13,458 water molecules-plus boundary conditions-undergoes similar re-organizational dynamics in the presence of fields of 0.35 V nm(-1) and 0.5 V nm(-1). Water fingers form followed by some lipid translocation from one layer to the other. The re-organization kinetics is of the second order and is roughly 5 times faster at the higher field. The translocations may occur also upon field switch off, provided that their duration was sufficiently long. Driving few lipid translocations by a macroscopic tool, such as the electric field, appears possible.
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Biophys Chem
December 2024
Theoretical Molecular Science Laboratory, RIKEN Cluster for Pioneering Research, 2-1 Hirosawa, Wako, Saitama 351-0198, Japan; Computational Biophysics Research Group, RIKEN Center for Computational Science, 7-1-26 Minatojima-Minamimachi, Chuo-ku, Kobe, Hyogo 650-0047, Japan; Laboratory for Biomolecular Function Simulation, RIKEN Center for Biosystems Dynamics Research, 1-6-5 Minatojima-Minamimachi, Chuo-ku, Kobe, Hyogo 650-0047, Japan.
Membrane potential is essential in biological signaling and homeostasis maintained by voltage-sensitive membrane proteins. Molecular dynamics (MD) simulations incorporating membrane potentials have been extensively used to study the structures and functions of ion channels and protein pores. They can also be beneficial in designing and characterizing artificial ion channels and pores, which will guide further amino acid sequence optimization through comparison between the predicted models and experimental data.
View Article and Find Full Text PDFEMBO J
January 2025
Department of Immunology and Regenerative Biology, Weizmann Institute of Science, 76100, Rehovot, Israel.
Mitochondrial carrier homolog 2 (MTCH2) is a regulator of apoptosis, mitochondrial dynamics, and metabolism. Loss of MTCH2 results in mitochondrial fragmentation, an increase in whole-body energy utilization, and protection against diet-induced obesity. In this study, we used temporal metabolomics on HeLa cells to show that MTCH2 deletion results in a high ATP demand, an oxidized cellular environment, and elevated utilization of lipids, amino acids, and carbohydrates, accompanied by a decrease in several metabolites.
View Article and Find Full Text PDFCurr Microbiol
January 2025
DBT-North East Centre for Agricultural Biotechnology, Assam Agricultural University, Jorhat, Assam, 785013, India.
Aquilaria malaccensis Lam., an Agarwood-producing tree native to Southeast Asia, secretes oleoresin, a resin with diverse applications, in response to injuries. To explore the role of endosphere microbial communities during Agarwood development, we utilized a metagenomics approach across three stages: non-symptomatic (NC), symptomatic early (IN), and symptomatic mature (IN1).
View Article and Find Full Text PDFStructure
January 2025
Molecular Biophysics Unit, Indian Institute of Science, Bangalore, Karnataka 560012, India. Electronic address:
In this issue of Structure, Soteriou et al. use cell biology, in vitro reconstitution approaches, and molecular dynamics (MD) simulations to characterize the membrane association of AKT1. The authors show that the AKT1 pleckstrin homology domain contains two essential and cooperative PI(3,4,5)P-binding sites that enable stable membrane binding of AKT1 in the requisite orientation required for effective downstream signaling.
View Article and Find Full Text PDFJ Hazard Mater
December 2024
Key Laboratory of Mariculture (Ocean University of China), Ministry of Education, Qingdao, PR China; Joint Research Center for Conservation, Restoration & Sustainable Utilization of Marine Ecology, Ocean University of China-China State Shipbuilding Corporation Environmental Development Co., Ltd., Qingdao, PR China; Observation and Research Station of Yellow-Bohai Sea Temperate Seagrass Bed Ecosystem, Ministry of Natural Resources, Qingdao, PR China. Electronic address:
Perfluorooctanoic acid (PFOA), an anthropogenic organic pollutant known for its persistence, resistance to degradation, and toxicity, has raised significant concerns about its potential ecological impacts. Zostera marina, a common submerged seagrass species in temperate offshore areas, is highly vulnerable to pollutant stressors. However, the impact of PFOA on Z.
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