Protonation-modulated localization of excess electrons in histidine aqueous solutions revealed by ab initio molecular dynamics simulations: anion-centered versus cation-centered localization-Reference-Cited by-同舟云学术

Protonation-modulated localization of excess electrons in histidine aqueous solutions revealed by ab initio molecular dynamics simulations: anion-centered versus cation-centered localization

Published:2017 Issue:21 Volume:19 Page:13807-13818
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Gao Liang¹²³⁴,Bu Yuxiang¹²³⁴^ORCID

Affiliation:

1. School of Chemistry and Chemical Engineering

2. Shandong University

3. Jinan

4. P. R. China

Abstract

In this work, we present an ab initio molecular dynamics simulation study on the interaction of an excess electron (EE) with histidine in its aqueous solution.

Funder

Natural Science Foundation of Shandong Province

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2017/CP/C7CP01847A

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1. Resonant Formation of DNA Strand Breaks by Low-Energy (3 to 20 eV) Electrons

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5. Excess Electron Interactions with Solvated DNA Nucleotides: Strand Breaks Possible at Room Temperature

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