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Detailed Photoisomerization Dynamics of a Green Fluorescent Protein Chromophore Based Molecular Switch
Joint Authors
Li, Fuli
Jiang, Chen-Wei
Fang, Ai-Ping
Zhao, Di
Li, Hong-Rong
Xie, Rui-Hua
Source
International Journal of Photoenergy
Issue
Vol. 2014, Issue 2014 (31 Dec. 2014), pp.1-11, 11 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2014-09-03
Country of Publication
Egypt
No. of Pages
11
Main Subjects
Abstract EN
With density-functional-based nonadiabatic molecular dynamics simulations, trans-to-cis and cis-to-trans photoisomerizations of a green fluorescent protein chromophore based molecule 4-benzylidene-2-methyloxazol-5(4H)-one (BMH) induced by the excitation to its S 1 excited state were performed.
We find a quantum yield of 32% for the trans-to-cis photoisomerization of BMH and a quantum yield of 33% for its cis-to-trans photoisomerization.
For those simulations that did produce trans-to-cis isomerization, the average S 1 excited state lifetime of trans-BMH is about 1460 fs, which is much shorter than that of cis-BMH (3100 fs) in those simulations that did produce cis-to-trans isomerization.
For both photoisomerization processes, rotation around the central C2=C3 bond is the dominant reaction mechanism.
Deexcitation occurs at an avoided crossing near the S 1 / S 0 conical intersection, which is near the midpoint of the rotation.
American Psychological Association (APA)
Jiang, Chen-Wei& Fang, Ai-Ping& Zhao, Di& Li, Hong-Rong& Xie, Rui-Hua& Li, Fuli. 2014. Detailed Photoisomerization Dynamics of a Green Fluorescent Protein Chromophore Based Molecular Switch. International Journal of Photoenergy،Vol. 2014, no. 2014, pp.1-11.
https://search.emarefa.net/detail/BIM-1037215
Modern Language Association (MLA)
Jiang, Chen-Wei…[et al.]. Detailed Photoisomerization Dynamics of a Green Fluorescent Protein Chromophore Based Molecular Switch. International Journal of Photoenergy No. 2014 (2014), pp.1-11.
https://search.emarefa.net/detail/BIM-1037215
American Medical Association (AMA)
Jiang, Chen-Wei& Fang, Ai-Ping& Zhao, Di& Li, Hong-Rong& Xie, Rui-Hua& Li, Fuli. Detailed Photoisomerization Dynamics of a Green Fluorescent Protein Chromophore Based Molecular Switch. International Journal of Photoenergy. 2014. Vol. 2014, no. 2014, pp.1-11.
https://search.emarefa.net/detail/BIM-1037215
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1037215