Association Dynamics and Linear and Nonlinear Optical Properties of an N-Acetylaladanamide Probe in a POPC Membrane.

Along with the growing evidence that relates membrane abnormalities to various diseases, biological membranes have been acknowledged as targets for therapy. Any such abnormality in the membrane structure alters the membrane potential which in principle can be captured by measuring properties of spec...

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Publicado en:Journal of the American Chemical Society Vol. 135; no. 36; pp. 13590 - 13598
Autores principales: Arul Murugan, N., Apostolov, Rossen, Rinkevicius, Zilvinas, Kongsted, Jacob, Lindahl, Erik, Ågren, Hans
Formato: Artículo
Publicado: American Chemical Society 9/11/2013
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Acceso en línea:Ver este registro en EBSCOhost
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      dt: 9/11/2013
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        10.1021/ja407326n
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        atl: Association Dynamics and Linear and Nonlinear Optical Properties of an N-Acetylaladanamide Probe in a POPC Membrane.
      aug:
        au:
          Arul Murugan, N.
          Apostolov, Rossen
          Rinkevicius, Zilvinas
          Kongsted, Jacob
          Lindahl, Erik
          Ågren, Hans
        affil:
          Division of Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology, SE-10691 Stockholm, Sweden
          PDC Center for High Performance Computing, School of Computer Science and Communication, Royal Institute of Technology, SE-10691 Stockholm, Sweden
          Department of Biochemistry and Biophysics, Science for Life Laboratory, Stockholm University, SE-171 21 Solna, Sweden
          Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, DK-5230 Odense M, Denmark
          Theoretical and Computational Biophysics, Department of Theoretical Physics, Royal Institute of Technology, Stockholm, Sweden
      su:
        Second harmonic generation
        Molecular probes
        Biological membranes
        Nonlinear optics
        Membrane potential
        Microscopy
      sug:
        subj:
          Second harmonic generation
          Molecular probes
          Biological membranes
          Nonlinear optics
          Membrane potential
          Microscopy
      ab: Along with the growing evidence that relates membrane abnormalities to various diseases, biological membranes have been acknowledged as targets for therapy. Any such abnormality in the membrane structure alters the membrane potential which in principle can be captured by measuring properties of specific optical probes. There exists by now many molecular probes with absorption and fluorescence properties that are sensitive to local membrane structure and to the membrane potential. To suggest new high-performance optical probes for membrane-potential imaging it is important to understand in detail the membrane-induced structural changes in the probe, the membrane association dynamics of the probe, and its membrane-specific optical properties. To contribute to this effort, we here study an optical probe, N-acetylaladanamide (NAAA), in the presence of a POPC lipid bilayer using a multiscale integrated approach to assess the probe structure, dynamics, and optical properties in its membrane-bound status and in water solvent. We find that the probe eventually assimilates into the membrane with a specific orientation where the hydrophobic part of the probe is buried inside the lipid bilayer, while the hydrophilic part is exposed to the water solvent. The computed absorption maximum is red-shifted when compared to the gas phase. The computations of the two-photon absorption and second harmonic generation cross sections of the NAAA probe in its membrane-bound state which is of its first kind in the literature suggest that this probe can be used for imaging the membrane potential using nonlinear optical microscopy.
      pubtype: Academic Journal
      doctype: Article
      src: R
    language: English
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