Mass spectrometry and computational study of collision-induced dissociation of 9-methylguanine–1-methylcytosine base-pair radical cation: intra-base-pair proton transfer and hydrogen transfer, non-statistical dissociation, and reaction with a water ligand

2020 ◽  
Vol 22 (26) ◽  
pp. 14875-14888 ◽  
Author(s):  
Yan Sun ◽  
May Myat Moe ◽  
Jianbo Liu
Keyword(s):  
Mass Spectrometry ◽  
Proton Transfer ◽  
Radical Cation ◽  
Base Pair ◽  
Hydrogen Transfer ◽  
Theoretical Study ◽  
Computational Study ◽  
Collision Induced Dissociation ◽  
Water Ligand

A combined experimental and theoretical study is presented on the collision-induced dissociation of 9-methylguanine–1-methylcytosine base-pair radical cation ([9MG·1MC]˙+) and its monohydrate ([9MG·1MC]˙+·H2O) with Xe and Ar gases.

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.

Deprotonated guanine·cytosine and 9-methylguanine·cytosine base pairs and their “non-statistical” kinetics: a combined guided-ion beam and computational study

2016 ◽  
Vol 18 (47) ◽  
pp. 32222-32237 ◽  
Author(s):  
Wenchao Lu ◽  
Jianbo Liu
Keyword(s):  
Proton Transfer ◽  
Base Pair ◽  
Computational Study ◽  
Ion Beam ◽  
Base Pairs ◽  
Guided Ion Beam ◽  
Kinetics Of

The intra-base-pair proton transfer and non-RRKM unimolecular kinetics of deprotonated guanine·cytosine base pairs.

Dissociation of the Anthracene Radical Cation: A Comparative Look at iPEPICO and Collision-Induced Dissociation Mass Spectrometry Results

2014 ◽  
Vol 118 (42) ◽  
pp. 9870-9878 ◽  
Author(s):  
Brandi West ◽  
Alicia Sit ◽  
Sabria Mohamed ◽  
Christine Joblin ◽  
Valerie Blanchet ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Radical Cation ◽  
Collision Induced Dissociation
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