Issue 38, 2013
From the journal:

Physical Chemistry Chemical Physics

Photophysical origin of the reduced photodynamic therapy activity of temocene compared to Foscan®: insights from theory†

Marta E. Alberto,*a   Tiziana Marino,a   Angelo D. Quartaroloa  and  Nino Russo*a  

* Corresponding authors

a Dipartimento di Chimica e Tecnologie Chimiche, Università della Calabria, Cubo 14C, Via P. Bucci 87036, Arcavacata di Rende, CS, Italy
E-mail: nrusso@unical.it, malberto@unical.it
Fax: +39 0984 493390
Tel: +39 0984 492106

Abstract

In order to explain the reduced photodynamic (PDT) activity of a recently proposed m-tetra (hydroxyphenyl) porphycene derivative (temocene or THPPo) in terms of singlet oxygen quantum yields compared to porphyrin analogue Foscan (m-THPC), a time dependent DFT investigation has been carried out. Computed electronic transitions, singlet–triplet energy gaps and spin–orbit coupling matrix elements (SOCME) can be related to the reduced PDT activity.

Graphical abstract: Photophysical origin of the reduced photodynamic therapy activity of temocene compared to Foscan®: insights from theory

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Article information

DOI
https://doi.org/10.1039/C3CP52698D
Article type
Paper
Submitted
27 Jun 2013
Accepted
05 Aug 2013
First published
06 Aug 2013

Phys. Chem. Chem. Phys., 2013,15, 16167-16171

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Photophysical origin of the reduced photodynamic therapy activity of temocene compared to Foscan®: insights from theory

M. E. Alberto, T. Marino, A. D. Quartarolo and N. Russo, Phys. Chem. Chem. Phys., 2013, 15, 16167 DOI: 10.1039/C3CP52698D

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