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Title: | Hydration- and Temperature-Dependent Fluorescence Spectra of Laurdan Conformers in a DPPC Membrane | Authors: | KNIPPENBERG, Stefan De, Kathakali Aisenbrey, Christopher Bechinger, Burkhard Osella, Silvio |
Issue Date: | 2024 | Publisher: | MDPI | Source: | Cells, 13 (15) (Art N° 1232) | Abstract: | The widely used Laurdan probe has two conformers, resulting in different optical properties when embedded in a lipid bilayer membrane, as demonstrated by our previous simulations. Up to now, the two conformers' optical responses have, however, not been investigated when the temperature and the phase of the membrane change. Since Laurdan is known to be both a molecular rotor and a solvatochromic probe, it is subject to a profound interaction with both neighboring lipids and water molecules. In the current study, molecular dynamics simulations and hybrid Quantum Mechanics/Molecular Mechanics calculations are performed for a DPPC membrane at eight temperatures between 270K and 320K, while the position, orientation, fluorescence lifetime and fluorescence anisotropy of the embedded probes are monitored. The importance of both conformers is proven through a stringent comparison with experiments, which corroborates the theoretical findings. It is seen that for Conf-I, the excited state lifetime is longer than the relaxation of the environment, while for Conf-II, the surroundings are not yet adapted when the probe returns to the ground state. Throughout the temperature range, the lifetime and anisotropy decay curves can be used to identify the different membrane phases. The current work might, therefore, be of importance for biomedical studies on diseases, which are associated with cell membrane transformations. | Notes: | Knippenberg, S (corresponding author), Hasselt Univ, Theory Lab, Agoralaan Bldg, B-3590 Diepenbeek, Belgium.; Osella, S (corresponding author), Univ Warsaw, Ctr New Technol, Chem & Biol Syst Simulat Lab, Banacha 2C, PL-02097 Warsaw, Poland. stefan.knippenberg@uhasselt.be; kde@unistra.fr; silvio.osella@cent.uw.edu.pl |
Keywords: | multiscale computational approach;lipid bilayer;hydration;fluorescence properties;laurdan | Document URI: | http://hdl.handle.net/1942/44259 | e-ISSN: | 2073-4409 | DOI: | 10.3390/cells13151232 | ISI #: | 001286879500001 | Rights: | 2024 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https:// creativecommons.org/licenses/by/ 4.0/). | Category: | A1 | Type: | Journal Contribution |
Appears in Collections: | Research publications |
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