Structure and Photochemistry of Fluorescent Nucleobaseas and Metal Mediated Base Pairs

• Grant number: 18/19454-5
• Support Opportunities: Regular Research Grants
• Duration: February 01, 2019 - January 31, 2021
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Physical-Chemistry
• Principal Investigator: Antonio Carlos Borin
• Grantee: Antonio Carlos Borin
• Host Institution: Instituto de Química (IQ). Universidade de São Paulo (USP). São Paulo , SP, Brazil

Abstract

Our main goal is to describe photochemical and photophysical properties of modified nucleobases of biological and technological relevance, with emphasis on highly fluorescent nucleobases and pairs of nucleobases mediated by transition metals. We will employ multiconfigurational ab initio quantum methods, but due to the size and complexity of the systems, we will also investigate other quantum methods which are less demanding computationally, without compromising the quality of the results. For comparison, we will use the results obtained with the multiconfigurational methods. (AU)

Scientific publications

(7)

(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)

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)

DE ARAUJO, ADALBERTO VASCONCELOS SANCHES; VALVERDE, DANILLO; CANUTO, SYLVIO; BORIN, ANTONIO CARLOS. Solvation Structures and Deactivation Pathways of Luminescent Isothiazole-Derived Nucleobases: (tz)A, (tz)G, and I-tz. Journal of Physical Chemistry A, v. 124, n. 34, p. 6834-6844, AUG 27 2020. (17/02612-4, 14/50983-3, 18/19454-5)

ANDREAZZA, CARMEN MARIA; DE ALMEIDA, AMAURY AUGUSTO; COSTA, GUSTAVO JULIANI; BORIN, ANTONIO CARLOS. Radiative association of P and Cl atoms. THEORETICAL CHEMISTRY ACCOUNTS, v. 139, n. 6, MAY 30 2020. (18/19454-5)

VALVERDE, DANILLO; DE ARAUJO, ADALBERTO V. S.; BORIN, ANTONIO CARLOS. Photophysical Deactivation Mechanisms of the Pyrimidine Analogue 1-Cyclohexyluracil. Molecules, v. 26, n. 17, SEP 2021. (18/19454-5, 17/02612-4)

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)

DE ALMEIDA, AMAURY A.; ANDREAZZA, CARMEN M.; BORIN, ANTONIO CARLOS. Formation of PS through radiative association. THEORETICAL CHEMISTRY ACCOUNTS, v. 139, n. 2, FEB 2020. (18/19454-5)

SANCHES DE ARAUJO, ADALBERTO VASCONCELOS; BORIN, ANTONIO CARLOS. Photochemical Relaxation Pathways of 9H-8-Azaguanine and 8H-8-Azaguanine. Journal of Physical Chemistry A, v. 123, n. 14, p. 3109-3120, APR 11 2019. (18/19454-5)