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Phosphorescence Kinetics of Singlet Oxygen Produced by Photosensitization in Spherical Nanoparticles. Part I. Theory

  • Andrej Hovan
    Andrej Hovan
    Department of Biophysics, Faculty of Science, P. J. Šafárik University, Jesenná 5, 041 54 Košice, Slovak Republic
    More by Andrej Hovan
  • Shubhashis Datta
    Shubhashis Datta
    Center for Interdisciplinary Biosciences, Technology and Innovation Park, P. J. Šafárik University, Jesenná 5, 041 54 Košice, Slovak Republic
  • Sergei G. Kruglik
    Sergei G. Kruglik
    Laboratoire Jean Perrin, Sorbonne Universités, UPMC Univ. Paris 6, CNRS UMR 8237, 4 Place Jussieu, 75005 Paris, France
  • Daniel Jancura
    Daniel Jancura
    Department of Biophysics, Faculty of Science  and  Center for Interdisciplinary Biosciences, Technology and Innovation Park, P. J. Šafárik University, Jesenná 5, 041 54 Košice, Slovak Republic
  • Pavol Miskovsky
    Pavol Miskovsky
    Department of Biophysics, Faculty of Science  and  Center for Interdisciplinary Biosciences, Technology and Innovation Park, P. J. Šafárik University, Jesenná 5, 041 54 Košice, Slovak Republic
  • , and 
  • Gregor Bánó*
    Gregor Bánó
    Department of Biophysics, Faculty of Science  and  Center for Interdisciplinary Biosciences, Technology and Innovation Park, P. J. Šafárik University, Jesenná 5, 041 54 Košice, Slovak Republic
    *E-mail: [email protected]. Phone: +421 55 2342253.
Cite this: J. Phys. Chem. B 2018, 122, 20, 5147–5153
Publication Date (Web):April 30, 2018
https://doi.org/10.1021/acs.jpcb.8b00658
Copyright © 2018 American Chemical Society

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    Abstract

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    The singlet oxygen produced by energy transfer between an excited photosensitizer (pts) and ground-state oxygen molecules plays a key role in photodynamic therapy. Different nanocarrier systems are extensively studied to promote targeted pts delivery in a host body. The phosphorescence kinetics of the singlet oxygen produced by the short laser pulse photosensitization of pts inside nanoparticles is influenced by singlet oxygen diffusion from the particles to the surrounding medium. Two theoretical models are presented in this work: a more complex numerical one and a simple analytical one. Both the models predict the time course of singlet oxygen concentration inside and outside of the spherical particles following short-pulse excitation of pts. On the basis of the comparison of the numerical and analytical results, a semiempirical analytical formula is derived to calculate the characteristic diffusion time of singlet oxygen from the nanoparticles to the surrounding solvent. The phosphorescence intensity of singlet oxygen produced in pts-loaded nanocarrier systems can be calculated as a linear combination of the two concentrations (inside and outside the particles), taking the different phosphorescence emission rate constants into account.

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    The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acs.jpcb.8b00658.

    • A: Derivation of the semiempirical formula for the diffusion time |τDeff|calc (eq 11). B: Explanation of the mathematical procedure used to calculate |τDeff|fitted by fitting the analytical model to the numerical results (PDF)

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    Cited By

    This article is cited by 3 publications.

    1. Yue-Mei Gao, Shih-Han Chiu, Prabhakar Busa, Chen-Lun Liu, Ranjith Kumar Kankala, Chia-Hung Lee. Engineered Mesoporous Silica-Based Core-Shell Nanoarchitectures for Synergistic Chemo-Photodynamic Therapies. International Journal of Molecular Sciences 2022, 23 (19) , 11604. https://doi.org/10.3390/ijms231911604
    2. Quan Liu, Liangxuan Wang, Juan Carlos Roldao, Pierre-Michel Adam, Marc Brecht, Johannes Gierschner, Frank Wackenhut, Alfred J. Meixner. Theoretical and Experimental Evidence of Two‐Step Tautomerization in Hypericin. Advanced Photonics Research 2021, 2 (6) https://doi.org/10.1002/adpr.202000170
    3. Erik Trampe, Klaus Koren, Ashwini Rahul Akkineni, Christian Senwitz, Felix Krujatz, Anja Lode, Michael Gelinsky, Michael Kühl. Functionalized Bioink with Optical Sensor Nanoparticles for O 2 Imaging in 3D‐Bioprinted Constructs. Advanced Functional Materials 2018, 28 (45) https://doi.org/10.1002/adfm.201804411

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