A method for calculating the free energy of a macromolecule containing charged groups in electrostatic field in aqueous solution was proposed. The non-electrostatic component of free energy was calculated with consideration of van der Waals interactions between uncharged parts of the macromolecule. The electrostatic component of free energy was calculated with regard for the interactions of charged groups of the macromolecule with each other and with water molecules. It was found that, depending on the strength of external electric field, the free energy of the system passes through a minimum, whereas the internal energy passes through a maximum. By minimizing the free energy, relative changes in the mean radius 'r' and the distance between the termini of the macromolecule 'h' were calculated. It was found that, at some values of field strength, both 'r' and 'h' decrease. An increase in strength led to an increase in 'r' and 'h'. The regularities observed depend on the charge of the macromolecule and the spatial redistribution of macromolecules and counterions.
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Purpose: With the widespread introduction of dual energy computed tomography (DECT), applications utilizing the spectral information to perform material decomposition became available. Among these, a popular application is to decompose contrast-enhanced CT images into virtual non-contrast (VNC) or virtual non-iodine images and into iodine maps. In 2021, photon-counting CT (PCCT) was introduced, which is another spectral CT modality.
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January 2025
Fujian Provincial Key Laboratory of Quantum Manipulation and New Energy Materials, College of Physics and Energy, Fujian Normal University, Fuzhou, Fujian, 350117, China.
Single-atom materials provide a platform to precisely regulate the electrochemical redox behavior of electrode materials with atomic level. Here, a multifield-regulated sintering route is reported to rapidly prepare single-atom zinc with a very high loading mass of 24.7 wt.
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January 2025
Department of Physics, The Chinese University of Hong Kong, Shatin, Hong Kong SAR, China.
The transmembrane potential of plasma membranes and membrane-bound organelles plays a fundamental role in cellular functions such as signal transduction, ATP synthesis, and homeostasis. Rhodamine voltage reporters (RhoVRs), which operate based on the photoinduced electron transfer (PeT) mechanism, are non-invasive, small-molecule voltage sensors that can detect rapid voltage changes, with some of them specifically targeting the inner mitochondrial membrane. In this work, we conducted extensive molecular dynamics simulations and free-energy calculations to investigate the physicochemical properties governing the orientation as well as membrane permeation barriers of three RhoVRs.
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January 2025
State Key Laboratory of Chemical Resource Engineering, College of Chemistry, Beijing University of Chemical Technology, Beijing, 100029, China.
New carbon-based materials (CMs) are recommended as attractively active materials due to their diverse nanostructures and unique electron transport pathways, demonstrating great potential for highly efficient energy storage applications, electrocatalysis, and beyond. Among these newly reported CMs, metal-organic framework (MOF)-derived CMs have achieved impressive development momentum based on their high specific surface areas, tunable porosity, and flexible structural-functional integration. However, obstacles regarding the integrity of porous structures, the complexity of preparation processes, and the precise control of active components hinder the regulation of precise interface engineering in CMs.
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December 2024
Aix Marseille Univ, CEA, CNRS, Institute of Bioscience and Biotechnology of Aix Marseille, BIAM, Saint-Paul-Lez-Durance 13108, France.
Lipid droplets (LDs) are the major sites of lipid and energy homeostasis. However, few LD biogenesis proteins have been identified. Using model microalga , we show that ABHD1, an α/β-hydrolase domain-containing protein, is localized to the LD surface and stimulates LD formation through two actions: one enzymatic and one structural.
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