Please use this identifier to cite or link to this item:
http://hdl.handle.net/1942/31262
Title: | Push/Pull Effect as Driving Force for Different Optical Responses of Azobenzene in a Biological Environment | Authors: | KNIPPENBERG, Stefan Osella, Silvio |
Issue Date: | 2020 | Publisher: | AMER CHEMICAL SOC | Source: | JOURNAL OF PHYSICAL CHEMISTRY C, 124 (15) , p. 8310 -8322 | Abstract: | The specific relationship between the alkyl tail lengths of four azobenzene probes embedded in DOPC liquid disorder membrane and their (non) linear optical (NLO) properties have been considered in the current study. Using extensive molecular dynamics calculations, the push/pull effect of the alkyl tails on the position and orientation of the probes in the model membrane are discussed. The simulations indicate that with increasing tail lengths the cis isomers are pushed closer to the membrane surface, while the trans ones are rather pulled toward the membrane center. Throughout hybrid quantum mechanics/molecular mechanics calculations, the linear and nonlinear optical properties of these compounds have been investigated. The pushing effect of the tails for cis azobenzene is translated in strong responses in the (non) linear I optical spectroscopies, while the opposite is seen for the trans isomers. The cis isomer can be seen as the active state of the azobenzene compound for membrane recognition. The current work highlights the correlation between the tails of photosensitive membrane probes and their NLO properties, and focuses on unexpected behaviors of azobenzene derivatives in biological environments which can be exploited in distinguishing between soft and stiff cellular compartments that are of utmost importance for ion carrier transport. | Notes: | Knippenberg, S (reprint author), Hasselt Univ, Theoret Phys, B-3590 Diepenbeek, Belgium.; Knippenberg, S (reprint author), KTH Royal Inst Technol, Dept Theoret Chem & Biol, Sch Engn Sci Chem Biotechnol & Hlth, SE-10691 Stockholm, Sweden.; Knippenberg, S (reprint author), Univ Antwerp, Dept Chem, Res Grp PLASMANT, B-2610 Antwerp, Belgium.; Knippenberg, S (reprint author), Palacky Univ, Fac Sci, Dept Phys Chem, RCPTM, Olomouc, Czech Republic.; Osella, S (reprint author), Univ Warsaw, Ctr New Technol, Biol Syst Simulat Lab, PL-02097 Warsaw, Poland. stefan.knippenberg@upol.cz; s.osella@cent.uw.edu.pl |
Other: | Knippenberg, S (reprint author), Hasselt Univ, Theoret Phys, B-3590 Diepenbeek, Belgium; KTH Royal Inst Technol, Dept Theoret Chem & Biol, Sch Engn Sci Chem Biotechnol & Hlth, SE-10691 Stockholm, Sweden; Univ Antwerp, Dept Chem, Res Grp PLASMANT, B-2610 Antwerp, Belgium; Palacky Univ, Fac Sci, Dept Phys Chem, RCPTM, Olomouc, Czech Republic. Osella, S (reprint author), Univ Warsaw, Ctr New Technol, Biol Syst Simulat Lab, PL-02097 Warsaw, Poland. stefan.knippenberg@upol.cz; s.osella@cent.uw.edu.pl | Keywords: | Induced 2nd-Harmonic Generation;Molecular-Dynamics;2-Photon Absorption;Phase-Transitions;Light;Field;Photoisomerization;Polarization;Cholesterol;States | Document URI: | http://hdl.handle.net/1942/31262 | ISSN: | 1932-7447 | e-ISSN: | 1932-7455 | DOI: | 10.1021/acs.jpcc.9b11391 | ISI #: | WOS:000526319300027 | Rights: | 2020 American Chemical Society | Category: | A1 | Type: | Journal Contribution | Validations: | ecoom 2021 |
Appears in Collections: | Research publications |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
stefan.pdf | Published version | 2.67 MB | Adobe PDF | View/Open |
WEB OF SCIENCETM
Citations
9
checked on Apr 30, 2024
Page view(s)
32
checked on Sep 7, 2022
Download(s)
16
checked on Sep 7, 2022
Google ScholarTM
Check
Altmetric
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.