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Theoretical studies on the isomerization mechanism of the ortho-green fluorescent protein chromophore.
Phys Chem Chem Phys. 2012 Oct 14; 14(38):13409-14.PC

Abstract

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.

Authors+Show Affiliations

Division of Theoretical Chemistry & Biology, School of Biotechnology, Royal Institute of Technology, S-106 91, Stockholm, Sweden.No affiliation info availableNo affiliation info availableNo affiliation info available

Pub Type(s)

Journal Article
Research Support, Non-U.S. Gov't

Language

eng

PubMed ID

22941238

Citation

Ai, Yue-Jie, et al. "Theoretical Studies On the Isomerization Mechanism of the Ortho-green Fluorescent Protein Chromophore." Physical Chemistry Chemical Physics : PCCP, vol. 14, no. 38, 2012, pp. 13409-14.
Ai YJ, Liao RZ, Fang WH, et al. Theoretical studies on the isomerization mechanism of the ortho-green fluorescent protein chromophore. Phys Chem Chem Phys. 2012;14(38):13409-14.
Ai, Y. J., Liao, R. Z., Fang, W. H., & Luo, Y. (2012). Theoretical studies on the isomerization mechanism of the ortho-green fluorescent protein chromophore. Physical Chemistry Chemical Physics : PCCP, 14(38), 13409-14. https://doi.org/10.1039/c2cp41959a
Ai YJ, et al. Theoretical Studies On the Isomerization Mechanism of the Ortho-green Fluorescent Protein Chromophore. Phys Chem Chem Phys. 2012 Oct 14;14(38):13409-14. PubMed PMID: 22941238.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Theoretical studies on the isomerization mechanism of the ortho-green fluorescent protein chromophore. AU - Ai,Yue-Jie, AU - Liao,Rong-Zhen, AU - Fang,Wei-Hai, AU - Luo,Yi, PY - 2012/9/4/entrez PY - 2012/9/4/pubmed PY - 2013/2/5/medline SP - 13409 EP - 14 JF - Physical chemistry chemical physics : PCCP JO - Phys Chem Chem Phys VL - 14 IS - 38 N2 - 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. SN - 1463-9084 UR - https://www.unboundmedicine.com/medline/citation/22941238/Theoretical_studies_on_the_isomerization_mechanism_of_the_ortho_green_fluorescent_protein_chromophore_ L2 - https://doi.org/10.1039/c2cp41959a DB - PRIME DP - Unbound Medicine ER -