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Photosensitizers: from fundamental properties to biological applications


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)

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Scientific publications (9)
(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.; ANTONIO, FELIPE C. T.; DA SILVA, GABRIELA D.; BARTOLONI, FERNANDO H.; ORESTES, EDNILSOM; COUTINHO-NETO, MAURICIO D.; HOMEM-DE-MELLO, PAULA. On the radicalar properties of graphene fragments: double-hybrid DFT and perturbation theory approaches. THEORETICAL CHEMISTRY ACCOUNTS, v. 139, n. 7, . (17/23416-9)
DE SOUZA, THALITA F. M.; TORRES ANTONIO, FELIPE CESAR; HOMEM-DE-MELLO, PAULA; RIBEIRO, ANDERSON O.. Unsymmetrical zinc (II) phthalocyanine and zinc (II) naphthalocyanine with 2,3-Dicyano-1,4-diphenylnaphthalene precursor. DYES AND PIGMENTS, v. 172, . (17/23416-9, 14/18527-8)
DO CARMO, ALINE LAGOEIRO; BETTANIN, FERNANDA; ALMEIDA, MICHELL ALMEIDA; PANTALEAO, SIMONE QUEIROZ; RODRIGUES, TIAGO; HOMEM-DE-MELLO, PAULA; HONORIO, KATHIA MARIA. Competition Between Phenothiazines and BH3 Peptide for the Binding Site of the Antiapoptotic BCL-2 Protein. FRONTIERS IN CHEMISTRY, v. 8, . (06/00995-9, 16/07367-5, 17/23416-9, 16/24524-7, 17/10118-0)
TASSO, THIAGO T.; SCHLOTHAUER, JAN C.; JUNQUEIRA, HELENA C.; MATIAS, TIAGO A.; ARAKI, KOITI; LIANDRA-SALVADOR, ERICA; ANTONIO, FELIPE C. T.; HOMEM-DE-MELLO, PAULA; BAPTISTA, MAURICIO S.. Photobleaching Efficiency Parallels the Enhancement of Membrane Damage for Porphyrazine Photosensitizers. Journal of the American Chemical Society, v. 141, n. 39, p. 15547-15556, . (17/23416-9, 16/15916-9, 13/07937-8)
DE CARVALHO, FABRICIO; COUTINHO-NETO, MAURICIO D.; BARTOLONI, FERNANDO H.; HOMEM-DE-MELLO, PAULA. Substitution by tert-butyl groups facilitates excited state proton transfer in hydroxylated triphenylimidazole frameworks more than it does for oxazole and thiazole analogs. ARKIVOC, n. 2, p. 61+, . (12/13807-7, 17/23416-9)
FERREIRA, CONNY CERAI; GOMES DA SILVA, THAIS BARROS; DOS SANTOS FRANCISCO, AGATHA DENSY; BANDEIRA, LUCAS; CUNHA, RENATO D.; COUTINHO-NETO, MAURICIO DOMINGUES; HOMEM-DE-MELLO, PAULA; DE ALMEIDA, JAMES MORAES; ORESTES, EDNILSOM; VEIGA NASCIMENTO, REGINA SANDRA. Hyperbranched polyglycerols derivatives as cetyltrimethylammonium bromide nanocarriers on enhanced oil recovery processes. Journal of Applied Polymer Science, v. 139, n. 9, . (17/23416-9)
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, . (17/23416-9)
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, . (17/23416-9, 15/01786-3)
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, . (17/23416-9, 12/13807-7)

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