TY - JOUR
T1 - Two aromatic rings coupled a sulfur-containing group to favor protein electron transfer by instantaneous formations of Π∴S:Π虠Π:S∴Π or Π∴Π:S虠Π:Π∴S five-electron bindings
AU - Sun, Weichao
AU - Ren, Haisheng
AU - Tao, Ye
AU - Xiao, Dong
AU - Qin, Xin
AU - Deng, Li
AU - Shao, Mengyao
AU - Gao, Jiali
AU - Chen, Xiaohua
N1 - Publisher Copyright:
© 2015 American Chemical Society.
PY - 2015/4/30
Y1 - 2015/4/30
N2 - The cooperative interactions among two aromatic rings with a S-containing group are described, which may participate in electron hole transport in proteins. Ab initio calculations reveal the possibility for the formations of the Π∴S:Π虠Π:S∴Π and Π∴Π:S虠Π:Π∴S five-electron bindings in the corresponding microsurrounding structures in proteins, both facilitating electron hole transport as efficient relay stations. The relay functionality of these two special structures comes from their low local ionization energies and proper binding energies, which varies with the different aromatic amino acids, S-containing residues, and the arrangements of the same aromatic rings according to the local microsurroundings in proteins.
AB - The cooperative interactions among two aromatic rings with a S-containing group are described, which may participate in electron hole transport in proteins. Ab initio calculations reveal the possibility for the formations of the Π∴S:Π虠Π:S∴Π and Π∴Π:S虠Π:Π∴S five-electron bindings in the corresponding microsurrounding structures in proteins, both facilitating electron hole transport as efficient relay stations. The relay functionality of these two special structures comes from their low local ionization energies and proper binding energies, which varies with the different aromatic amino acids, S-containing residues, and the arrangements of the same aromatic rings according to the local microsurroundings in proteins.
UR - http://www.scopus.com/inward/record.url?scp=84928777729&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=84928777729&partnerID=8YFLogxK
U2 - 10.1021/acs.jpcc.5b01740
DO - 10.1021/acs.jpcc.5b01740
M3 - Article
C2 - 26120374
AN - SCOPUS:84928777729
SN - 1932-7447
VL - 119
SP - 9149
EP - 9158
JO - Journal of Physical Chemistry C
JF - Journal of Physical Chemistry C
IS - 17
ER -