Theoretical Studies on Isomerization Mechanism of the ortho-Green Fluorescent 
Protein Chromophore

Ai, Yue-Jie; Fang, Wei-Hai; Liao, Rong-Zhen; Luo, Yi

doi:10.1039/c2cp41959a

アイテム詳細

登録内容を編集ファイル形式で保存

一時保存へ追加

タグ情報を表示リリース履歴を表示詳細要約

公開

学術論文

Theoretical Studies on Isomerization Mechanism of the ortho-Green Fluorescent Protein Chromophore

MPS-Authors

/persons/resource/persons58753

Liao, Rong-Zhen
Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society;

External Resource

There are no locators available

Fulltext (restricted access)

There are currently no full texts shared for your IP range.

フルテキスト (公開)

公開されているフルテキストはありません

付随資料 (公開)

There is no public supplementary material available

引用

Ai, Y.-J., Fang, W.-H., Liao, R.-Z., & Luo, Y. (2012). Theoretical Studies on Isomerization Mechanism of the ortho-Green Fluorescent Protein Chromophore. Physical Chemistry Chemical Physics, 14(38), 13409-13414. doi:10.1039/c2cp41959a.

引用: https://hdl.handle.net/11858/00-001M-0000-000E-ED45-C

要旨

We present a systematic theoretical investigation on the overall ground state and excited-state isomerization reaction mechanism of ortho-green fluorescent protein chromophore (o-HBDI) using the density functional theory and the multireference methods. The calculated results and subsequent analysis suggest the possible isomerization mechanism for o-HBDI. By comparison with experimental observation and detailed analysis, it is concluded that as initiated by the excited-state intramolecular proton transfer reaction, the conical intersection between the ground state and the excited state along the C4–C5 single-bond rotational coordinate is responsible for the rapid deactivation of o-HBDI.