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

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.

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Ai, Yue-Jie1, 2, Autor
Fang, Wei-Hai1, Autor
Liao, Rong-Zhen3, Autor           
Luo, Yi2, 4, Autor
Affiliations:
1Beijing Normal Univ, Coll Chem, Beijing 100875, Peoples R China , ou_persistent22              
2Royal Inst Technol, Sch Biotechnol, Div Theoret Chem & Biol, Royal Inst Technol, Sch Biotechnol, Div Theoret Chem & Biol, ou_persistent22              
3Research Department Thiel, Max-Planck-Institut für Kohlenforschung, Max Planck Society, ou_1445590              
4Univ Sci & Technol China, Dept Chem Phys, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China, ou_persistent22              

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 Zusammenfassung: 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.

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 Datum: 2012
 Publikationsstatus: Erschienen
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 Ort, Verlag, Ausgabe: -
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 Art der Begutachtung: Expertenbegutachtung
 Identifikatoren: DOI: 10.1039/c2cp41959a
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Titel: Physical Chemistry Chemical Physics
Genre der Quelle: Zeitschrift
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Ort, Verlag, Ausgabe: -
Seiten: - Band / Heft: 14 (38) Artikelnummer: - Start- / Endseite: 13409 - 13414 Identifikator: ISSN: 1463-9076
CoNE: https://pure.mpg.de/cone/journals/resource/954925272413_1