News Column

Researchers from IBM Report Findings in DNA Research (An improved DNA force field for ssDNA interactions with gold nanoparticles)

July 29, 2014

By a News Reporter-Staff News Editor at Life Science Weekly -- Research findings on DNA Research are discussed in a new report. According to news reporting from Yorktown Heights, New York, by NewsRx journalists, research stated, "The widespread applications of single-stranded DNA (ssDNA) conjugated gold nanoparticles (AuNPs) have spurred an increasing interest in the interactions between ssDNA and AuNPs. Despite extensive studies using the most sophisticated experimental techniques, the detailed molecular mechanisms still remain largely unknown."

The news correspondents obtained a quote from the research from IBM, "Large scale molecular dynamics (MD) simulations can thus be used to supplement experiments by providing complementary information about ssDNA-AuNP interactions. However, up to now, all modern force fields for DNA were developed based on the properties of double-stranded DNA (dsDNA) molecules, which have hydrophilic outer backbones 'protecting' hydrophobic inner nucleobases from water. Without the double-helix structure of dsDNA and thus the 'protection' by the outer backbone, the nucleobases of ssDNA are directly exposed to solvent, and their behavior in water is very different from that of dsDNA, especially at the interface with nanoparticles. In this work, we have improved the force field of ssDNA for use with nanoparticles, such as AuNPs, based on recent experimental results and quantum mechanics calculations. With the new improved force field, we demonstrated that a poly(A) sequence adsorbed on a AuNP surface is much more stable than a poly(T) sequence, which is consistent with recent experimental observations. On the contrary, the current standard force fields, including AMBER03, CHARMM27, and OPLSAA, all gave erroneous results as compared to experiments."

According to the news reporters, the research concluded: "The current improved force field is expected to have wide applications in the study of ssDNA with nanomaterials including AuNPs, which might help promote the development of ssDNA-based biosensors and other bionano-devices."

For more information on this research see: An improved DNA force field for ssDNA interactions with gold nanoparticles. Journal of Chemical Physics, 2014;140(23):65-69. Journal of Chemical Physics can be contacted at: Amer Inst Physics, Circulation & Fulfillment Div, 2 Huntington Quadrangle, Ste 1 N O 1, Melville, NY 11747-4501, USA. (American Institute of Physics -; Journal of Chemical Physics -

Our news journalists report that additional information may be obtained by contacting X.K. Jiang, IBM Corp, Thomas J Watson Res Center, Yorktown Hts, NY 10598, United States. Additional authors for this research include J. Gao, T. Huynh, P. Huai, C.H. Fan, R.H. Zhou and B. Song (see also DNA Research).

Keywords for this news article include: Yorktown Heights, New York, United States, North and Central America, DNA Research, Emerging Technologies, Nanoparticle, Nanotechnology

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Source: Life Science Weekly

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