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Theoretical study of photophysical and photochemical properties of xanthene and their derivatives

Grant number: 18/02943-3
Support type:Scholarships in Brazil - Scientific Initiation
Effective date (Start): May 01, 2018
Effective date (End): April 30, 2019
Field of knowledge:Physical Sciences and Mathematics - Physics
Principal Investigator:Paula Homem-de-Mello
Grantee:Mateus Martins Zanotto de Toledo
Home Institution: Centro de Ciências Naturais e Humanas (CCNH). Universidade Federal do ABC (UFABC). Ministério da Educação (Brasil). Santo André , SP, Brazil

Abstract

Photodynamic therapy is a treatment for diverse superficial lesures and cancers, being a very attractive method because of its specificity and selectivity. The therapy consists in applying a photosensitizer (PS) and a light with specific wavelength for each PS utilized. Various molecules with tendency to excite and transfer intramolecular electrons, yielding singlet oxygen, like tiazines, Phthalocyanines and Xanthenes can be used as photosensitizers. This project has the purpose to study the ground and excited states of xanthene molecules and derivatives using the Density Functional Theory, propounding the viability of new molecules to the photodynamic therapy.