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Please use this identifier to cite or link to this item: http://hdl.handle.net/1942/29701

Title: Conformational Changes as Driving Force for Phase Recognition: The Case of Laurdan
Authors: Osella, Silvio
Smisdom, Nick
Ameloot, Marcel
Knippenberg, Stefan
Issue Date: 2019
Citation: LANGMUIR, 35(35), p. 11471-11481
Abstract: The development of a universal probe to assess the phase of a lipid membrane is one of the most ambitious goals for fluorescence spectroscopy. The ability of a well-known molecule as Laurdan to reach this aim is here exploited as the behavior of the probe is fully characterized in a dipalmitoyl-phosphatidylcholine (DPPC) solid gel (So) phase by means of molecular dynamics simulations. Laurdan can take two conformations, depending on whether the carbonyl oxygen points toward the beta-position of the naphthalene core (Conf-I) or to the alpha-position (Conf-II). We observe that Conf-I has an elongated form in this environment, whereas Conf-II takes an L-shape. Interestingly, our theoretical calculations show that these two conformations behave in an opposite way from what is reported in the literature for a DPPC membrane in a liquid disordered (Ld) phase, where Conf-I assumes an L-shape and Conf-II is elongated. Moreover, our results show that in DPPC (So) no intermixing between the conformations is present, whereas it has been seen in a fluid environment such as DOPC (Ld). Through a careful analysis of angle distributions and by means of the rotational autocorrelation function, we predict that the two conformers of Laurdan behave differently in different membrane environments.
Notes: [Osella, Silvio] Univ Warsaw, Ctr New Technol, Chem & Biol Syst Simulat Lab, Banacha 2C, PL-02097 Warsaw, Poland. [Smisdom, Nick; Ameloot, Marcel; Knippenberg, Stefan] Hasselt Univ, Biomed Res Inst, Agoralaan Bldg C, B-3590 Diepenbeek, Belgium. [Knippenberg, Stefan] Royal Inst Technol, Sch Biotechnol, Dept Theoret Chem & Biol, SE-10691 Stockholm, Sweden. [Knippenberg, Stefan] Palacky Univ, Fac Sci, Dept Phys Chem, RCPTM, Olomouc 77146, Czech Republic.
URI: http://hdl.handle.net/1942/29701
DOI: 10.1021/acs.langmuir.9b01840
ISI #: 000484644000027
ISSN: 0743-7463
Category: A1
Type: Journal Contribution
Appears in Collections: Research publications

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