Journal of Physical Chemistry B, volume 125, issue 3, pages 757-770
Interplay between Locally Excited and Charge Transfer States Governs the Photoswitching Mechanism in the Fluorescent Protein Dreiklang
Sen Tirthendu
1
,
Ma Yingying
1
,
Polyakov Igor V.
2, 3
,
Grigorenko Bella
2, 3
,
Nemukhin Alexander
2, 3
,
Publication type: Journal Article
Publication date: 2021-01-07
Journal:
Journal of Physical Chemistry B
Quartile SCImago
Q1
Quartile WOS
Q3
Impact factor: 3.3
ISSN: 15206106, 15205207
Materials Chemistry
Surfaces, Coatings and Films
Physical and Theoretical Chemistry
Abstract
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.
Citations by journals
|
1
2
3
|
|
|
Journal of Physical Chemistry Letters
|
Journal of Physical Chemistry Letters
3 publications, 23.08%
|
|
Molecules
|
Molecules
2 publications, 15.38%
|
|
Journal of Physical Chemistry B
|
Journal of Physical Chemistry B
2 publications, 15.38%
|
|
Chemical Science
|
Chemical Science
1 publication, 7.69%
|
|
Advanced Functional Materials
|
Advanced Functional Materials
1 publication, 7.69%
|
|
Journal of Chemical Theory and Computation
|
Journal of Chemical Theory and Computation
1 publication, 7.69%
|
|
International Journal of Molecular Sciences
|
International Journal of Molecular Sciences
1 publication, 7.69%
|
|
ChemBioChem
|
ChemBioChem
1 publication, 7.69%
|
|
Proceedings of the National Academy of Sciences of the United States of America
|
Proceedings of the National Academy of Sciences of the United States of America
1 publication, 7.69%
|
|
1
2
3
|
Citations by publishers
|
1
2
3
4
5
6
|
|
|
American Chemical Society (ACS)
|
American Chemical Society (ACS)
6 publications, 46.15%
|
|
Multidisciplinary Digital Publishing Institute (MDPI)
|
Multidisciplinary Digital Publishing Institute (MDPI)
3 publications, 23.08%
|
|
Wiley
|
Wiley
2 publications, 15.38%
|
|
Royal Society of Chemistry (RSC)
|
Royal Society of Chemistry (RSC)
1 publication, 7.69%
|
|
Proceedings of the National Academy of Sciences (PNAS)
|
Proceedings of the National Academy of Sciences (PNAS)
1 publication, 7.69%
|
|
1
2
3
4
5
6
|
- We do not take into account publications that without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
{"yearsCitations":{"type":"bar","data":{"show":true,"labels":[2021,2022,2023],"ids":[0,0,0],"codes":[0,0,0],"imageUrls":["","",""],"datasets":[{"label":"Citations number","data":[2,7,4],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6"],"percentage":["15.38","53.85","30.77"],"barThickness":null}]},"options":{"indexAxis":"x","maintainAspectRatio":true,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"}},"x":{"ticks":{"stepSize":1,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"}}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Citations per year","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}},"journals":{"type":"bar","data":{"show":true,"labels":["Journal of Physical Chemistry Letters","Molecules","Journal of Physical Chemistry B","Chemical Science","Advanced Functional Materials","Journal of Chemical Theory and Computation","International Journal of Molecular Sciences","ChemBioChem","Proceedings of the National Academy of Sciences of the United States of America"],"ids":[21963,1770,14990,9646,7715,58,14627,12154,306],"codes":[0,0,0,0,0,0,0,0,0],"imageUrls":["\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/MjH1ITP7lMYGxeqUZfkt2BnVLgjkk413jwBV97XX_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/leiAYcRDGTSl5B1eCnwpSGqmDEUEfDPPoYisFGhT_medium.webp","\/storage\/images\/resized\/bRyGpdm98BkAUYiK1YFNpl5Z7hPu6Gd87gbIeuG3_medium.webp","\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/MjH1ITP7lMYGxeqUZfkt2BnVLgjkk413jwBV97XX_medium.webp","\/storage\/images\/resized\/bRyGpdm98BkAUYiK1YFNpl5Z7hPu6Gd87gbIeuG3_medium.webp","\/storage\/images\/resized\/mxFdPe9qujsfvfYfcN0QOclAiYORFb0xrRlwV8gs_medium.webp"],"datasets":[{"label":"","data":[3,2,2,1,1,1,1,1,1],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6"],"percentage":[23.08,15.38,15.38,7.69,7.69,7.69,7.69,7.69,7.69],"barThickness":13}]},"options":{"indexAxis":"y","maintainAspectRatio":false,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"}},"x":{"ticks":{"stepSize":null,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"}}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Journals","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}},"publishers":{"type":"bar","data":{"show":true,"labels":["American Chemical Society (ACS)","Multidisciplinary Digital Publishing Institute (MDPI)","Wiley","Royal Society of Chemistry (RSC)","Proceedings of the National Academy of Sciences (PNAS)"],"ids":[40,202,11,123,162],"codes":[0,0,0,0,0],"imageUrls":["\/storage\/images\/resized\/iLiQsFqFaSEx6chlGQ5fbAwF6VYU3WWa08hkss0g_medium.webp","\/storage\/images\/resized\/MjH1ITP7lMYGxeqUZfkt2BnVLgjkk413jwBV97XX_medium.webp","\/storage\/images\/resized\/bRyGpdm98BkAUYiK1YFNpl5Z7hPu6Gd87gbIeuG3_medium.webp","\/storage\/images\/resized\/leiAYcRDGTSl5B1eCnwpSGqmDEUEfDPPoYisFGhT_medium.webp","\/storage\/images\/resized\/mxFdPe9qujsfvfYfcN0QOclAiYORFb0xrRlwV8gs_medium.webp"],"datasets":[{"label":"","data":[6,3,2,1,1],"backgroundColor":["#3B82F6","#3B82F6","#3B82F6","#3B82F6","#3B82F6"],"percentage":[46.15,23.08,15.38,7.69,7.69],"barThickness":13}]},"options":{"indexAxis":"y","maintainAspectRatio":false,"scales":{"y":{"ticks":{"precision":0,"autoSkip":false,"font":{"family":"Montserrat"},"color":"#000000"}},"x":{"ticks":{"stepSize":null,"precision":0,"font":{"family":"Montserrat"},"color":"#000000"}}},"plugins":{"legend":{"position":"top","labels":{"font":{"family":"Montserrat"},"color":"#000000"}},"title":{"display":true,"text":"Publishers","font":{"size":24,"family":"Montserrat","weight":600},"color":"#000000"}}}}}
Metrics
Cite this
GOST |
RIS |
BibTex |
MLA
Cite this
GOST
Copy
Sen T. et al. Interplay between Locally Excited and Charge Transfer States Governs the Photoswitching Mechanism in the Fluorescent Protein Dreiklang // Journal of Physical Chemistry B. 2021. Vol. 125. No. 3. pp. 757-770.
GOST all authors (up to 50)
Copy
Sen T., Ma Y., Polyakov I. V., Grigorenko B., Nemukhin A., Krylov A. I. Interplay between Locally Excited and Charge Transfer States Governs the Photoswitching Mechanism in the Fluorescent Protein Dreiklang // Journal of Physical Chemistry B. 2021. Vol. 125. No. 3. pp. 757-770.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1021/acs.jpcb.0c09221
UR - https://doi.org/10.1021%2Facs.jpcb.0c09221
TI - Interplay between Locally Excited and Charge Transfer States Governs the Photoswitching Mechanism in the Fluorescent Protein Dreiklang
T2 - Journal of Physical Chemistry B
AU - Polyakov, Igor V.
AU - Sen, Tirthendu
AU - Ma, Yingying
AU - Nemukhin, Alexander
AU - Krylov, Anna I.
AU - Grigorenko, Bella
PY - 2021
DA - 2021/01/07 00:00:00
PB - American Chemical Society (ACS)
SP - 757-770
IS - 3
VL - 125
SN - 1520-6106
SN - 1520-5207
ER -
Cite this
BibTex
Copy
@article{2021_Sen,
author = {Igor V. Polyakov and Tirthendu Sen and Yingying Ma and Alexander Nemukhin and Anna I. Krylov and Bella Grigorenko},
title = {Interplay between Locally Excited and Charge Transfer States Governs the Photoswitching Mechanism in the Fluorescent Protein Dreiklang},
journal = {Journal of Physical Chemistry B},
year = {2021},
volume = {125},
publisher = {American Chemical Society (ACS)},
month = {jan},
url = {https://doi.org/10.1021%2Facs.jpcb.0c09221},
number = {3},
pages = {757--770},
doi = {10.1021/acs.jpcb.0c09221}
}
Cite this
MLA
Copy
Sen, Tirthendu, et al. “Interplay between Locally Excited and Charge Transfer States Governs the Photoswitching Mechanism in the Fluorescent Protein Dreiklang.” Journal of Physical Chemistry B, vol. 125, no. 3, Jan. 2021, pp. 757-770. https://doi.org/10.1021%2Facs.jpcb.0c09221.