Interplay between Locally Excited and Charge Transfer States Governs the Photoswitching Mechanism in the Fluorescent Protein Dreiklang

Тип документаJournal Article
Дата публикации2021-01-28
Название журналаJournal of Physical Chemistry B
ИздательAmerican Chemical Society
КвартильQ1
ISSN15206106, 15205207
  • Materials Chemistry
  • Surfaces, Coatings and Films
  • Physical and Theoretical Chemistry
Краткое описание
We present the results of high-level electronic structure and dynamics simulations of the photoactive protein Dreiklang. With the goal of understanding the details of the Dreiklang photocycle, we carefully characterize the excited states of the ON- and OFF-forms of Dreiklang. The key finding of our study is the existence of a low-lying excited state of a charge-transfer character in the neutral ON form and that population of this state, which is nearly isoenergetic with the locally excited bright state, initiates a series of steps that ultimately lead to the formation of the hydrated dark chromophore (OFF state). These results allow us to refine the mechanistic picture of Dreiklang's photocycle and photoactivation.
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1. Sen T. и др. Interplay between Locally Excited and Charge Transfer States Governs the Photoswitching Mechanism in the Fluorescent Protein Dreiklang // The Journal of Physical Chemistry B. 2021. Т. 125. № 3. С. 757–770.
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TY - JOUR

DO - 10.1021/acs.jpcb.0c09221

UR - http://dx.doi.org/10.1021/acs.jpcb.0c09221

TI - Interplay between Locally Excited and Charge Transfer States Governs the Photoswitching Mechanism in the Fluorescent Protein Dreiklang

T2 - The Journal of Physical Chemistry B

AU - Sen, Tirthendu

AU - Ma, Yingying

AU - Polyakov, Igor V.

AU - Grigorenko, Bella L.

AU - Nemukhin, Alexander V.

AU - Krylov, Anna I.

PY - 2021

DA - 2021/01/07

PB - American Chemical Society (ACS)

SP - 757-770

IS - 3

VL - 125

SN - 1520-6106

SN - 1520-5207

ER -

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@article{2021,

doi = {10.1021/acs.jpcb.0c09221},

url = {https://doi.org/10.1021%2Facs.jpcb.0c09221},

year = 2021,

month = {jan},

publisher = {American Chemical Society ({ACS})},

volume = {125},

number = {3},

pages = {757--770},

author = {Tirthendu Sen and Yingying Ma and Igor V. Polyakov and Bella L. Grigorenko and Alexander V. Nemukhin and Anna I. Krylov},

title = {Interplay between Locally Excited and Charge Transfer States Governs the Photoswitching Mechanism in the Fluorescent Protein Dreiklang}

}

MLA
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Sen, Tirthendu et al. “Interplay Between Locally Excited and Charge Transfer States Governs the Photoswitching Mechanism in the Fluorescent Protein Dreiklang.” The Journal of Physical Chemistry B 125.3 (2021): 757–770. Crossref. Web.