Molecular simulations of ultra-low-energy nitrogen ion bombardment of A-DNA in vacuum
For investigating mechanisms involved in low-energy ion beam induced mutation, besides experiments using low-energy and low-fluence ions to bombard naked DNA, molecular simulations were carried out as an effort towards the insight in molecular interactions between ions and DNA. In the current study,...
Saved in:
Main Authors: | , , , , |
---|---|
Format: | Article |
Language: | English |
Published: |
2014
|
Online Access: | http://www.ncbi.nlm.nih.gov/pubmed/3502482 http://cmuir.cmu.ac.th/handle/6653943832/6066 |
Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Institution: | Chiang Mai University |
Language: | English |
id |
th-cmuir.6653943832-6066 |
---|---|
record_format |
dspace |
spelling |
th-cmuir.6653943832-60662014-08-30T03:23:48Z Molecular simulations of ultra-low-energy nitrogen ion bombardment of A-DNA in vacuum Ngaojampa C. Nimmanpipug P. Yu L. Anuntalabhochai S. Lee VS. For investigating mechanisms involved in low-energy ion beam induced mutation, besides experiments using low-energy and low-fluence ions to bombard naked DNA, molecular simulations were carried out as an effort towards the insight in molecular interactions between ions and DNA. In the current study, Monte Carlo (MC) and molecular dynamics (MD) simulations were applied. The results of MC simulations provide some clues about the interaction energies and sites of preference of N-ion bombardment on an A-DNA short duplex strand. MD simulations of a single N-ion moving towards the same DNA strand with different linear velocities corresponding to bombardment energies of 0.1, 1, 10 and 100 eV revealed information about changes in bond lengths and visibly distorted structures of bombarded nucleotides. The simulations demonstrated that ion-bombardment-induced DNA change in structure was not a random but preferential effect. 2014-08-30T03:23:47Z 2014-08-30T03:23:47Z 2010 Journal Article 1873-4243 20036590 http://www.ncbi.nlm.nih.gov/pubmed/3502482 http://cmuir.cmu.ac.th/handle/6653943832/6066 eng |
institution |
Chiang Mai University |
building |
Chiang Mai University Library |
country |
Thailand |
collection |
CMU Intellectual Repository |
language |
English |
description |
For investigating mechanisms involved in low-energy ion beam induced mutation, besides experiments using low-energy and low-fluence ions to bombard naked DNA, molecular simulations were carried out as an effort towards the insight in molecular interactions between ions and DNA. In the current study, Monte Carlo (MC) and molecular dynamics (MD) simulations were applied. The results of MC simulations provide some clues about the interaction energies and sites of preference of N-ion bombardment on an A-DNA short duplex strand. MD simulations of a single N-ion moving towards the same DNA strand with different linear velocities corresponding to bombardment energies of 0.1, 1, 10 and 100 eV revealed information about changes in bond lengths and visibly distorted structures of bombarded nucleotides. The simulations demonstrated that ion-bombardment-induced DNA change in structure was not a random but preferential effect. |
format |
Article |
author |
Ngaojampa C. Nimmanpipug P. Yu L. Anuntalabhochai S. Lee VS. |
spellingShingle |
Ngaojampa C. Nimmanpipug P. Yu L. Anuntalabhochai S. Lee VS. Molecular simulations of ultra-low-energy nitrogen ion bombardment of A-DNA in vacuum |
author_facet |
Ngaojampa C. Nimmanpipug P. Yu L. Anuntalabhochai S. Lee VS. |
author_sort |
Ngaojampa C. |
title |
Molecular simulations of ultra-low-energy nitrogen ion bombardment of A-DNA in vacuum |
title_short |
Molecular simulations of ultra-low-energy nitrogen ion bombardment of A-DNA in vacuum |
title_full |
Molecular simulations of ultra-low-energy nitrogen ion bombardment of A-DNA in vacuum |
title_fullStr |
Molecular simulations of ultra-low-energy nitrogen ion bombardment of A-DNA in vacuum |
title_full_unstemmed |
Molecular simulations of ultra-low-energy nitrogen ion bombardment of A-DNA in vacuum |
title_sort |
molecular simulations of ultra-low-energy nitrogen ion bombardment of a-dna in vacuum |
publishDate |
2014 |
url |
http://www.ncbi.nlm.nih.gov/pubmed/3502482 http://cmuir.cmu.ac.th/handle/6653943832/6066 |
_version_ |
1681420543987810304 |