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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)

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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, . (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, . (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, . (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, . (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, . (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, . (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, . (18/19454-5)

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