Solvent effect on the intermolecular proton transfer of the Watson and Crick guanine–cytosine and adenine–thymine base pairs: a polarizable continuum model study

2018 ◽  
Vol 20 (2) ◽  
pp. 1198-1209 ◽  
Author(s):  
Eduardo E. Romero ◽  
Florencio E. Hernandez
Keyword(s):  
Proton Transfer ◽  
Polarizable Continuum Model ◽  
Base Pairs ◽  
Double Proton Transfer ◽  
Model Study ◽  
Dna Base ◽  
Intermolecular Proton Transfer ◽  
Dna Base Pairs ◽  
Polarizable Continuum ◽  
Rare Tautomers

Understanding double proton transfer in rare tautomers and its implication in the promotion of spontaneous mutations in DNA base pairs.

A theoretical study of the potential energy surfaces for the double proton transfer reaction of model DNA base pairs

2017 ◽  
Vol 19 (6) ◽  
pp. 4802-4808 ◽  
Author(s):  
Chaozheng Li ◽  
Yonggang Yang ◽  
Donglin Li ◽  
Yufang Liu
Keyword(s):  
Proton Transfer ◽  
Potential Energy Surfaces ◽  
Proton Transfer Reaction ◽  
Base Pairs ◽  
Double Proton Transfer ◽  
Dna Base ◽  
Dna Base Pairs ◽  
Dna Base Pair ◽  
Energy Surfaces ◽  
The Double Proton Transfer

The excited-state double proton transfer (ESDPT) mechanism in a model DNA base pair, 7-azaindole (7AI) dimer, has been debated over the years.

Transient proton transfer of base pair hydrogen bonds induced by intense terahertz radiation

2020 ◽  
Vol 22 (17) ◽  
pp. 9316-9321
Author(s):  
Kaicheng Wang ◽  
Lixia Yang ◽  
Shaomeng Wang ◽  
Lianghao Guo ◽  
Jialu Ma ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Proton Transfer ◽  
Terahertz Radiation ◽  
Base Pair ◽  
Quantum Simulation ◽  
Base Pairs ◽  
Dna Base ◽  
Dna Base Pairs

Intense terahertz radiation was applied to trigger transient proton transfer in DNA base pairs through quantum simulation.

scholarly journals Electron-driven proton transfer relieves excited-state antiaromaticity in photoexcited DNA base pairs

2020 ◽  
Vol 11 (37) ◽  
pp. 10071-10077 ◽  
Author(s):  
Lucas J. Karas ◽  
Chia-Hua Wu ◽  
Henrik Ottosson ◽  
Judy I. Wu
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Base Pairs ◽  
Dna Base ◽  
Dna Base Pairs

The Watson–Crick A·T and G·C base pairs are not only electronically complementary, but also photochemically complementary.

scholarly journals The A·T(rWC)/A·T(H)/A·T(rH) ↔ A·T*(rwWC)/A·T*(wH)/A·T*(rwH) mutagenic tautomerization via sequential proton transfer: a QM/QTAIM study

RSC Advances ◽  
2018 ◽  
Vol 8 (24) ◽  
pp. 13433-13445 ◽  
Author(s):  
Ol'ha O. Brovarets' ◽  
Kostiantyn S. Tsiupa ◽  
Dmytro M. Hovorun
Keyword(s):  
Proton Transfer ◽  
Base Pair ◽  
Building Block ◽  
Genetic Material ◽  
Base Pairs ◽  
Dna Base ◽  
Dna Base Pairs ◽  
Self Development

We discovered tautomeric wobbling of the classical A·T DNA base pairs. This data evidence, that only a base pair with Watson–Crick architecture can be a building block of the DNA macromolecule as a genetic material, which is able for the evolutionary self-development.

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