Theoretical study of porphyrins, phthalocyanines and CHLORINES with enphasis for use in photodynamic therapy

• Grant number: 10/19790-3
• Support Opportunities: Scholarships in Brazil - Doctorate
• Start date: August 01, 2011
• End date: April 30, 2015
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Physical-Chemistry
• Principal Investigator: Paula Homem-de-Mello
• Grantee: Fernanda Bettanin
• Host Institution: Centro de Ciências Naturais e Humanas (CCNH). Universidade Federal do ABC (UFABC). Ministério da Educação (Brasil). Santo André , SP, Brazil

Abstract

Porphyrins, chlorins and phthalocyanines have been studied in many fields such as chemistry, medicine and industry because they present a wide variety of coordination, high redox capacity and a system of À-electron conjugation. They can be applied in solar cells, optical sensors, semiconductors and catalysis. This project aims to study, by means of quantum chemistry calculations, this group of molecules and derivatives, free-based and coordinated to different metals in order to understand and optimize their application in photodynamic therapy. (AU)

Scientific publications

(6)

(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)

BUCK, SUELEN T. G.; BETTANIN, FERNANDA; ORESTES, EDNILSON; HOMEM-DE-MELLO, PAULA; IMASATO, HIDETAKE; VIANA, ROMMEL B.; PERUSSI, JANICE R.; DA SILVA, ALBERICO B. F.. Photodynamic Efficiency of Xanthene Dyes and Their Phototoxicity against a Carcinoma Cell Line: A Computational and Experimental Study. JOURNAL OF CHEMISTRY, 2017. (12/19175-2, 11/09979-4, 10/19790-3)

BETTANIN, FERNANDA; DE CARVALHO FONTINELLES, TANCREDO AUGUSTO; MACIEL, CLEITON DOMINGOS; DIAS, LUIS GUSTAVO; COUTINHO-NETO, MAURICIO DOMINGUES; HOMEM-DE-MELLO, PAULA. Aggregation of photosensitizers: the role of dispersion and solvation on dimer formation energetics. THEORETICAL CHEMISTRY ACCOUNTS, v. 134, n. 12, NOV 20 2015. (12/50680-5, 10/19790-3)

BETTANIN, FERNANDA; ANTONIO, FELIPE C. T.; HONORIO, KATHIA M.; HOMEM-DE-MELLO, PAULA. Quantum-chemistry descriptors for photosensitizers based on macrocycles. CHEMICAL BIOLOGY & DRUG DESIGN, v. 89, n. 2, p. 207-220, FEB 2017. (12/50680-5, 10/19790-3)

DE FARIA, PRISCILA A.; BETTANIN, FERNANDA; CUNHA, RODRIGO L. O. R.; PAREDES-GAMERO, EDGAR J.; HOMEM-DE-MELLO, PAULA; NANTES, ISELI L.; RODRIGUES, TIAGO. Cytotoxicity of phenothiazine derivatives associated with mitochondrial dysfunction: A structure-activity investigation. Toxicology, v. 330, p. 44-54, APR 1 2015. (12/12247-8, 10/19790-3)

BUCK, SUELEN T. G.; BETTANIN, FERNANDA; ORESTES, EDNILSON; HOMEM-DE-MELLO, PAULA; IMASATO, HIDETAKE; VIANA, ROMMEL B.; PERUSSI, JANICE R.; DA SILVA, ALBERICO B. F.. Photodynamic Efficiency of Xanthene Dyes and Their Phototoxicity against a Carcinoma Cell Line: A Computational and Experimental Study. JOURNAL OF CHEMISTRY, v. 2017, p. 9-pg., 2017-01-01. (11/09979-4, 10/19790-3, 12/19175-2)

BETTANIN, FERNANDA; JURINOVICH, SANDRO; CAPRASECCA, STEFANO; MENNUCCI, BENEDETTA; HOMEM-DE-MELLO, PAULA. A quantum chemical investigation of the solvatochromism of a cross ark phthalocyanine within a lipid bilayer: Comparison between continuum and atomistic models. JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, v. 344, p. 42-48, JUL 1 2017. (12/50680-5, 10/19790-3)