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Conformational Changes as Driving Force for Phase Recognition: The Case of Laurdan
Univ Warsaw, Ctr New Technol, Chem & Biol Syst Simulat Lab, Banacha 2C, PL-02097 Warsaw, Poland..
Hasselt Univ, Biomed Res Inst, Agoralaan Bldg C, B-3590 Diepenbeek, Belgium..
Hasselt Univ, Biomed Res Inst, Agoralaan Bldg C, B-3590 Diepenbeek, Belgium..ORCID iD: 0000-0002-0888-2488
KTH, School of Engineering Sciences in Chemistry, Biotechnology and Health (CBH), Theoretical Chemistry and Biology. Hasselt Univ, Biomed Res Inst, Agoralaan Bldg C, B-3590 Diepenbeek, Belgium.;Palacky Univ, Fac Sci, Dept Phys Chem, RCPTM, Olomouc 77146, Czech Republic..ORCID iD: 0000-0002-4527-2566
2019 (English)In: Langmuir, ISSN 0743-7463, E-ISSN 1520-5827, Vol. 35, no 35, p. 11471-11481Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
AMER CHEMICAL SOC , 2019. Vol. 35, no 35, p. 11471-11481
National Category
Physical Chemistry
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URN: urn:nbn:se:kth:diva-261020DOI: 10.1021/acs.langmuir.9b01840ISI: 000484644000027PubMedID: 31403301Scopus ID: 2-s2.0-85071783931OAI: oai:DiVA.org:kth-261020DiVA, id: diva2:1356919
Note

QC 20191002

Available from: 2019-10-02 Created: 2019-10-02 Last updated: 2019-10-02Bibliographically approved

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Knippenberg, Stefan

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