| Molecular simulations of ultra-low-energy nitrogen ion bombardment of A-DNA in vacuum. | |
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MedLine Citation:
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PMID: 20036590 Owner: NLM Status: MEDLINE |
Abstract/OtherAbstract:
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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. |
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Authors:
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Chanisorn Ngaojampa; Piyarat Nimmanpipug; Liangdeng Yu; Somboon Anuntalabhochai; Vannajan Sanghiran Lee |
Publication Detail:
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Type: Journal Article; Research Support, Non-U.S. Gov't Date: 2009-12-04 |
Journal Detail:
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Title: Journal of molecular graphics & modelling Volume: 28 ISSN: 1873-4243 ISO Abbreviation: J. Mol. Graph. Model. Publication Date: 2010 Feb |
Date Detail:
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Created Date: 2010-02-01 Completed Date: 2010-05-14 Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 9716237 Medline TA: J Mol Graph Model Country: United States |
Other Details:
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Languages: eng Pagination: 533-9 Citation Subset: IM |
Copyright Information:
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Copyright 2009 Elsevier Inc. All rights reserved. |
Affiliation:
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Computational Simulation and Modeling Laboratory, Department of Chemistry and Center for Innovation in Chemistry, Faculty of Science, Chiang Mai University, Chiang Mai 50200, Thailand. |
Export Citation:
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| MeSH Terms | |
Descriptor/Qualifier:
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DNA, A-Form
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chemistry* Ions Molecular Dynamics Simulation* Nitrogen / chemistry* Nucleic Acid Conformation Thermodynamics Vacuum |
| Chemical | |
Reg. No./Substance:
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0/DNA, A-Form; 0/Ions; 7727-37-9/Nitrogen |
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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