Formation and Stability Conditions of DNA-Dendrimer Nano-Clusters
In this report a mathematical model, which is based on the electrostatic potential and elastic/mechanical properties, is presented for formation and stability prediction of DNA-dendrimer nano-cluster. This model is built upon the assumption of the DNA inextensible semi-flexible polymer model (also known as worm-like chain model) and application of the non-linear Poisson-Boltzmann equation. The electrostatic free energies (free energies for assembling of fixed charges and mobile ions), and also the elastic free energies of DNA chain wrapped around the dendronized polymer are predicted. The effects of the mechanical properties of DNA such as bending, twisting, and bending-twisting interactions on the stability of nano-cluster with different conformations in terms of free energy are investigated. The effect of temperature on the free energy is also investigated and the enthalpy and entropy of the systems are calculated at different ionic strengths. The effects of ionic strength on the free energy of nano-cluster formation from DNA and dendronized polymer (free energy of nano-cluster formation) and thermodynamics stability of their conformations are studied. The reported properties will help us to understand the electrical and mechanical properties of DNA and the formation and stability conditions of DNA-Dendrimer nano-clusters.
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Document Type: Research Article
Publication date: 01 May 2007
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- Journal of Computational and Theoretical Nanoscience is an international peer-reviewed journal with a wide-ranging coverage, consolidates research activities in all aspects of computational and theoretical nanoscience into a single reference source. This journal offers scientists and engineers peer-reviewed research papers in all aspects of computational and theoretical nanoscience and nanotechnology in chemistry, physics, materials science, engineering and biology to publish original full papers and timely state-of-the-art reviews and short communications encompassing the fundamental and applied research.
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