Theoretical study on the selective fluorescence of PicoGreen: Binding models and photophysical properties

Masaki Okoshi, Patchreenart Saparpakorn, Yuta Takada, Supa Hannongbua, Hiromi Nakai

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

PicoGreen (PG) is used as a probe to selectively quantitate double-stranded (ds-) DNA because it shows unique fluorescence enhancement when complexed with DNA. By binding to ds- and single-stranded (ss-) DNA, the quantum yields of PGDNA complexes become remarkably larger than that of a free molecule. In the present theoretical study, the fluorescence enhancement mechanism of PGDNA complexes was investigated using molecular docking simulations and ab initio quantum chemical methods. The binding energies between PG and ds-DNA were calculated to be larger than those in the case of PG and ss-DNA owing to the existence of an extra π-π stacking interaction. Nonradiative deactivation paths through conical intersections between the ground and the first excited states were obtained for a free PG molecule, while steric repulsions between PG and DNA hindered such deactivation processes in the case of PGDNA complexes.

Original languageEnglish
Pages (from-to)267-273
Number of pages7
JournalBulletin of the Chemical Society of Japan
Volume87
Issue number2
DOIs
Publication statusPublished - 2014 Feb 26

ASJC Scopus subject areas

  • Chemistry(all)

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