We consider the steady state of an open system in which there is a flux of matter between two reservoirs at different chemical potentials. For a large system of size N, the probability of any macroscopic density profile rho(x) is exp[-NF([rho])]; F thus generalizes to nonequilibrium systems the notion of free energy density for equilibrium systems. Our exact expression for F is a nonlocal functional of rho, which yields the macroscopically long range correlations in the nonequilibrium steady state previously predicted by fluctuating hydrodynamics and observed experimentally.
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http://dx.doi.org/10.1103/PhysRevLett.87.150601 | DOI Listing |
Anal Bioanal Chem
January 2025
Department of Chemistry - Biomedical Center, Analytical Chemistry and Neurochemistry, Uppsala University, Uppsala, Sweden.
Free fatty acids (FFAs) are important energy sources and significant for energy transport in the body. They also play a crucial role in cellular oxidative stress responses, following cell membrane depolarization, making accurate quantification of FFAs essential. This study presents a novel supercritical fluid chromatography-mass spectrometry (SFC-MS) method using selected ion recording in negative electrospray ionization mode, enabling rapid quantification of 31 FFAs within 6 min without derivatization.
View Article and Find Full Text PDFSci Rep
January 2025
Department of Metallurgical Engineering and Materials Science, Indian Institute of Technology Bombay, Mumbai, Maharashtra, 400076, India.
Nanomechanical responses (force-time profiles) of crystal lattices under deformation exhibit random critical jumps, reflecting the underlying structural transition processes. Despite extensive data collection, interpreting dynamic critical responses and their underlying mechanisms remains a significant challenge. This study explores a microscopic theoretical approach to analyse critical force fluctuations in martensitic transitions.
View Article and Find Full Text PDFJ Phys Chem B
January 2025
Frankfurt Institute for Advanced Studies, Frankfurt am Main 60438, Germany.
The assembly of proteins in membranes plays a key role in many crucial cellular pathways. Despite their importance, characterizing transmembrane assembly remains challenging for experiments and simulations. Equilibrium molecular dynamics simulations do not cover the time scales required to sample the typical transmembrane assembly.
View Article and Find Full Text PDFComput Methods Programs Biomed
January 2025
Department of Regenerative Medicine, Cell Science Research Center, Royan Institute for Stem Cell Biology and Technology, ACECR, Tehran, Iran; Experimental Cancer Medicine, Institution for Laboratory Medicine, Karolinska Institute, 141-83 Stockholm, Sweden. Electronic address:
Background And Objective: Myeloid-derived suppressor cells (MDSCs) are a crucial and diverse group of cells found in the tumor microenvironment (TME) that facilitate progression, invasion, and metastasis within solid tumors. CD84, a homophilic adhesion molecule expressed on MDSCs, plays a critical role in their accumulation and function within the TME. This study aims to investigate the protein-protein interactions of CD84 using molecular dynamics simulations and to explore potential therapeutic strategies targeting these interactions.
View Article and Find Full Text PDFInorg Chem
January 2025
State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing 100081, China.
The performance of energetic coordination compounds (ECCs) is influenced by their components and structure. Modifying the chemical structure of the ligands can balance the detonation performance and sensitivity. This study introduced Cu(3-PZCA)(ClO) () and Cu(2-IZCA)(ClO) (), using 3-PZCA and 2-IZCA as ligands.
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