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Photosensitizers: from fundamental properties to biological applications

Grant number: 17/23416-9
Support type:Regular Research Grants
Duration: March 01, 2018 - February 29, 2020
Field of knowledge:Physical Sciences and Mathematics - Physics
Principal Investigator:Paula Homem-de-Mello
Grantee:Paula Homem-de-Mello
Home Institution: Centro de Ciências Naturais e Humanas (CCNH). Universidade Federal do ABC (UFABC). Ministério da Educação (Brasil). Santo André , SP, Brazil


This project aims to continue the work begun with the thematic project "Photosensitization in Life Sciences" and to maintain the collaboration with experimental and also with computational simulation researchers in the development of photosensitizers, focusing mainly on photodynamic therapy. Methods based on density functional theory will be employed to study the fundamental, excited and oxidized states of triphenylimidazole, phthalocyanine macrocyclic compounds as well as thiazines, phenothiazines and xanthenes. We will try to include in those studies properties involving the excited states, such as intramolecular proton transfer and transfer of energy or electron for singlet oxygen formation. Studies will also be conducted to give insight on the action of phenothiazines in the dark, in order to complement the understanding of the mechanisms of action of these compounds in cancer treatments. (AU)

Scientific publications
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
SALVADOR, MICHELE A.; SOUSA, CAMILA P.; MACIEL, CLEITON D.; GOMES, RAYANE N.; MORAIS, SIMONE; DE LIMA-NETO, PEDRO; COUTINHO-NETO, MAURICIO D.; CORREIA, ADRIANA N.; HOMEM-DE-MELLO, PAULA. Experimental and computational studies of the interactions between carbon nanotubes and ionic liquids used for detection of acetaminophen. SENSORS AND ACTUATORS B-CHEMICAL, v. 277, p. 640-646, DEC 20 2018. Web of Science Citations: 1.
AONO, CASSIANO MINORU; COUTINHO-NETO, MAURICIO D.; MIOTTO, RONEI; HOMEM-DE-MELLO, PAULA. CAHM1: A Theory-Based Proposal for a New DSSC D-A-pi-A Dye. Journal of Physical Chemistry C, v. 122, n. 48, p. 27256-27262, DEC 6 2018. Web of Science Citations: 1.
DE CARVALHO, FABRICIO; COUTINHO NETO, MAURICIO D.; BARTOLONI, FERNANDO H.; HOMEM-DE-MELLO, PAULA. Density Functional Theory Applied to Excited State Intramolecular Proton Transfer in Imidazole-, Oxazole-, and Thiazole-Based Systems. Molecules, v. 23, n. 5 MAY 2018. Web of Science Citations: 1.

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