Solvent effects on electron-driven proton-transfer processes: adenine–thymine base pairs

2012 ◽  
Vol 14 (25) ◽  
pp. 8981 ◽  
Author(s):  
Monika Dargiewicz ◽  
Malgorzata Biczysko ◽  
Roberto Improta ◽  
Vincenzo Barone
Keyword(s):  
Proton Transfer ◽  
Solvent Effects ◽  
Base Pairs ◽  
Transfer Processes ◽  
Adenine Thymine

scholarly journals Aqueous Solution Effects on the Proton-Transfer Processes of GC and AT Base Pairs

2014 ◽  
Vol 30 (2) ◽  
pp. 257-264
Author(s):  
WU Ying-Xi ◽  
◽  
WANG Hong-Yan ◽  
LIN Yue-Xia
Keyword(s):  
Aqueous Solution ◽  
Proton Transfer ◽  
Base Pairs ◽  
Transfer Processes

External electric field promotes proton transfer in the radical cation of adenine–thymine

2016 ◽  
Vol 30 (21) ◽  
pp. 1650276 ◽  
Author(s):  
Guiqing Zhang ◽  
Shijie Xie
Keyword(s):  
Electric Field ◽  
Proton Transfer ◽  
External Electric Field ◽  
Radical Cation ◽  
Base Pair ◽  
Low Temperatures ◽  
Room Temperature ◽  
Theoretical Calculations ◽  
Base Pairs ◽  
Adenine Thymine

According to [Formula: see text] measurements, it has been predicted that proton transfer would not occur in the radical cation of adenine–thymine (A:T). However, recent theoretical calculations indicate that proton transfer takes place in the base pair in water below the room temperature. We have performed simulations of proton transfer in the cation of B-DNA stack composed of 10 A:T base pairs in water from 20 K to 300 K. Proton transfer occurs below the room temperature, meanwhile it could also be observed at the room temperature under the external electric field. Another case that interests us is that proton transfer bounces back after [Formula: see text][Formula: see text]300 fs from the appearance of proton transfer at low temperatures.

Double-Proton Transfer in Adenine−Thymine and Guanine−Cytosine Base Pairs. A Post-Hartree−Fock ab Initio Study

2004 ◽  
Vol 126 (32) ◽  
pp. 10119-10129 ◽  
Author(s):  
Leonid Gorb ◽  
Yevgeniy Podolyan ◽  
Pawel Dziekonski ◽  
W. Andrzej Sokalski ◽  
Jerzy Leszczynski
Keyword(s):  
Proton Transfer ◽  
Ab Initio ◽  
Ab Initio Study ◽  
Base Pairs ◽  
Hartree Fock ◽  
Double Proton Transfer ◽  
Adenine Thymine

scholarly journals Effects of Cu2+ on Proton Transfer Processes in an Adenine-Thymine Anion Base Pair

2011 ◽  
Vol 27 (12) ◽  
pp. 2799-2804
Author(s):  
ZHANG Feng ◽  
◽  
WANG Hong-Yan ◽  
LIN Yue-Xia
Keyword(s):  
Proton Transfer ◽  
Base Pair ◽  
Transfer Processes ◽  
Adenine Thymine

Theoretical investigation of the proton transfer mechanism in guanine-cytosine and adenine-thymine base pairs

2012 ◽  
Vol 137 (19) ◽  
pp. 195101 ◽  
Author(s):  
Shiyan Xiao ◽  
Lei Wang ◽  
Yuan Liu ◽  
Xiangsong Lin ◽  
Haojun Liang
Keyword(s):  
Proton Transfer ◽  
Theoretical Investigation ◽  
Transfer Mechanism ◽  
Base Pairs ◽  
Adenine Thymine

scholarly journals Solvent effects on the excited state characteristics of adenine–thymine base pairs

RSC Advances ◽  
2017 ◽  
Vol 7 (53) ◽  
pp. 33426-33440 ◽  
Author(s):  
S. Saha ◽  
H. M. Quiney
Keyword(s):  
Excited State ◽  
Solvent Effects ◽  
Base Pair ◽  
Base Pairs ◽  
Systematic Analysis ◽  
Dna Base ◽  
Dna Base Pair ◽  
Adenine Thymine ◽  
Hydrogen Bonded

A systematic analysis of the excited state characteristics of the DNA base pair adenine–thymine in stacked and Watson–Crick hydrogen bonded configurations has been carried out in this study.

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