Surfactant structure around DNA in aqueous solution
文献信息
Paul Smith, R. M. Lynden-Bell, W. Smith
Two different possible structures for decanetrimethylammonium surfactants around a DNA strand in aqueous solution were investigated using molecular dynamics. The first structure had surfactant going out radially from the DNA in a ‘hairy ’ structure and in the other the surfactants were in a micelle structure. Both systems were simulated for 1 ns. Results for the radius of gyration, the density and various radial distribution functions are given. By comparison with these results neutron diffraction experiments could definitively distinguish between these structures. The ‘hairy ’ structure showed some evidence of clumping. Although this can be interpreted as incipient micelle formation, it was also found that head groups did move into the groove, a change which is not consistent with micelle formation. In comparison the micelle structure remained stable, although the shape elongated.
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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.











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