Photophysical properties of heavy atom modified nucleobases

• Grant number: 19/04413-4
• Support Opportunities: Scholarships abroad - Research Internship - Doctorate
• Start date: June 01, 2019
• End date: November 30, 2019
• Field of knowledge: Physical Sciences and Mathematics - Physics - Atomic and Molecular Physics
• Principal Investigator: Sylvio Roberto Accioly Canuto
• Grantee: Danillo Pires Valverde
• Supervisor: Leticia Gonzalez Herrero
• Host Institution: Instituto de Física (IF). Universidade de São Paulo (USP). São Paulo , SP, Brazil
• Institution abroad: 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.

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. (18/19454-5, 14/50983-3, 19/04413-4, 17/02612-4)

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. (18/19454-5, 19/04413-4, 17/02612-4, 14/50983-3)