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Photophysical properties of heavy atom modified nucleobases

Grant number: 19/04413-4
Support type:Scholarships abroad - Research Internship - Doctorate
Effective date (Start): June 01, 2019
Effective date (End): November 30, 2019
Field of knowledge:Physical Sciences and Mathematics - Physics - Atomic and Molecular Physics
Principal researcher:Sylvio Roberto Accioly Canuto
Grantee:Danillo Pires Valverde
Supervisor abroad: Leticia Gonzalez Herrero
Home Institution: Instituto de Física (IF). Universidade de São Paulo (USP). São Paulo , SP, Brazil
Research place: University of Vienna, Austria  
Associated to the scholarship:17/02612-4 - Dynamics of excited states and spectroscopic properties of natural and synthetic DNA and RNA derivatives in solvent environment, BP.DR

Abstract

This project aims at studying the photophysics of heavy atom modified nucleobases. Specially, we shall focus on the 6-selenoguanine (6SeGua) molecule, which derives from guanine by replacing the oxygen by a selenium atom (figure 1). This type of compound is of interest because the triplet state population is remarkably enhanced. A priori, it can be used as photosensitizer in photodynamics therapy. Static approaches [1-3] and excited state dynamics within the scope of the SHARC framework [4, 5]`, will be performed to elucidate the nature of the electronic excited states and, to understand the mechanism of population low-lying triplet states. The effect of water in the relaxation mechanisms will be also considered. Whenever appropriate, comparison with experimental data will be presented.

News published in Agência FAPESP Newsletter about the scholarship:

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)
VALVERDE, DANILLO; MAI, SEBASTIAN; SANCHES DE ARAUJO, ADALBERTO VASCONCELOS; CANUTO, SYLVIO; GONZALEZ, LETICIA; BORIN, ANTONIO CARLOS. On the population of triplet states of 2-seleno-thymine. Physical Chemistry Chemical Physics, v. 23, n. 9, p. 5447-5454, MAR 7 2021. Web of Science Citations: 0.
FANG, YE-GUANG; VALVERDE, DANILLO; MAI, SEBASTIAN; CANUTO, SYLVIO; BORIN, ANTONIO CARLOS; CUI, GANGLONG; GONZALEZ, LETICIA. Excited-State Properties and Relaxation Pathways of Selenium-Substituted Guanine Nucleobase in Aqueous Solution and DNA Duplex. Journal of Physical Chemistry B, v. 125, n. 7, p. 1778-1789, FEB 25 2021. Web of Science Citations: 1.

Please report errors in scientific publications list by writing to: cdi@fapesp.br.