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,...

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Main Authors: Ngaojampa C., Nimmanpipug P., Yu L., Anuntalabhochai S., Lee VS.
Format: Article
Language:English
Published: 2014
Online Access:http://www.ncbi.nlm.nih.gov/pubmed/3502482
http://cmuir.cmu.ac.th/handle/6653943832/6066
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Institution: Chiang Mai University
Language: English
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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
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