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Theoretical studies on the isomerization mechanism of the ortho-green fluorescent protein chromophore
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- Ai, Yue-Jie (author)
- KTH,Teoretisk kemi och biologi
- Liao, Rong-Zhen (author)
- Fang, Wei-Hai (author)
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- (creator_code:org_t)
- Royal Society of Chemistry (RSC), 2012
- 2012
- English.
- In: Physical Chemistry, Chemical Physics - PCCP. - : Royal Society of Chemistry (RSC). - 1463-9076 .- 1463-9084. ; 14:38, s. 13409-13414
- Journal article (peer-reviewed)
Abstract
Subject headings
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- 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.
Subject headings
- NATURVETENSKAP -- Kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences (hsv//eng)
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Keyword
- Intramolecular Proton-Transfer
- Excited-State Dynamics
- Photoisomerization
- Molecules
- Gfp
Publication and Content Type
- ref (subject category)
- art (subject category)
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