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Molecular-Scale Simulation of Wetting of Actin Filaments by Protein Droplets.
J Phys Chem B
January 2025
Department of Computer and Information Sciences, Department of Materials Science and Engineering, University of Delaware, Newark, Delaware 19716, United States.
Liquid phase-separating proteins can form condensates that play an important role in spatial and temporal organization of biological cells. The understanding of the mechanisms that lead to the formation of protein condensates and their interactions with other biomolecules may lead to processing routes for soft materials with tailored geometry and function. Fused in sarcoma (FUS) is an example of a nuclear protein that forms stable complexes, and recent studies have highlighted its ability to wet actin filaments and bundle them into networks.
View Article and Find Full Text PDFPhoton-mediated energy transfer between molecules and atoms in a cavity: A numerical study.
J Chem Phys
December 2024
Shiyan Key Laboratory of Quantum Information and Precision Optics, and School of Mathematics, Physics and Optoelectronic Engineering, Hubei University of Automotive Technology, Shiyan 442002, People's Republic of China.
The molecular energy transfer is crucial for many different physicochemical processes. The efficiency of traditional resonance energy transfer relies on dipole-dipole distance between molecules and becomes negligible when the distance is larger than ∼10 nm, which is difficult to overcome. Cavity polariton, formed when placing molecules inside the cavity, is a promising way to surmount the distance limit.
View Article and Find Full Text PDFPrediction of BTEX volatilization in polluted soil based on the sorption potential energy theory.
Environ Pollut
November 2024
Department of Environmental Science, Zhejiang University, Hangzhou, 310058, China; Zhejiang Provincial Key Laboratory of Organic Pollution Process and Control, Hangzhou, 310058, China. Electronic address:
Initial volatile concentration (C) is a crucial parameter for the migration and diffusion of volatile organic pollutants (VOCs) from the soil to the atmosphere. The acquisition of C is, however, time-consuming and labor-intensive. This study developed a prediction model for C based on theoretical analysis and experimental simulations.
View Article and Find Full Text PDFOn the Dynamic Contact Angle of Capillary-Driven Microflows in Open Channels.
Langmuir
April 2024
Department of Chemistry, University of Washington, Box 351700, Seattle, Washington 98195, United States.
The true value of the contact angle between a liquid and a solid is a thorny problem in capillary microfluidics. The Lucas-Washburn-Rideal (LWR) law assumes a constant contact angle during fluid penetration. However, recent experimental studies have shown lower liquid velocities than those predicted by the LWR equation, which are attributed to a velocity-dependent dynamic contact angle that is larger than its static value.
View Article and Find Full Text PDFMechanistic Insights into Cellular and Molecular Basis of Protein-Nanoplastic Interactions.
Small
February 2024
Department of Biosciences and Bioengineering, Indian Institute of Technology Roorkee, Roorkee, Uttarakhand, 247667, India.
Plastic waste is ubiquitously present across the world, and its nano/sub-micron analogues (plastic nanoparticles, PNPs), raise severe environmental concerns affecting organisms' health. Considering the direct and indirect toxic implications of PNPs, their biological impacts are actively being studied; lately, with special emphasis on cellular and molecular mechanistic intricacies. Combinatorial OMICS studies identified proteins as major regulators of PNP mediated cellular toxicity via activation of oxidative enzymes and generation of ROS.
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