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Understanding the origin of liquid crystal ordering of ultrashort double-stranded DNA
- Understanding the origin of liquid crystal ordering of ultrashort double-stranded DNA
- Saurabh, Suman; Lansac, Yves; Jang, Yun Hee; Glaser, Matthew A.; Clark, Noel A.; Maiti, Prabal K.
- DGIST Authors
- Jang, Yun Hee
- Issue Date
- Physical Review E: Statistical, Nonlinear, and Soft Matter Physics, 95(3)
- Article Type
- Abiotic Ligation; Attraction; Crystalline Materials; Crystallization; Double Helix; Double Stranded DNA (DS DNA); Double Stranded DNA; Duplexes; Liquid Crystalline Phasis; Liquid Crystalline; Liquid Crystals (LCs); Liquids; Molecular Dynamics Simulations; Molecular Dynamics; Molecular Dynamics Simulations; Monovalent; Oligomers; Phase Transitions; Salt Concentration; Sequencesanisotropy; Supramolecular Columns; Thermodynamic Feasibility
- Recent experiments have shown that short double-stranded DNA (dsDNA) fragments having six- to 20-base pairs exhibit various liquid crystalline phases. This violates the condition of minimum molecular shape anisotropy that analytical theories demand for liquid crystalline ordering. It has been hypothesized that the liquid crystalline ordering is the result of end-to-end stacking of dsDNA to form long supramolecular columns which satisfy the shape anisotropy criterion necessary for ordering. To probe the thermodynamic feasibility of this process, we perform molecular dynamics simulations on ultrashort (four base pair long) dsDNA fragments, quantify the strong end-to-end attraction between them, and demonstrate that the nematic ordering of the self-assembled stacked columns is retained for a large range of temperature and salt concentration. © 2017 American Physical Society.
- American Physical Society
- Related Researcher
Jang, Yun Hee
CMMM Lab(Curious Minds Molecular Modeling Laboratory)
Multiscale molecular modeling (quantum mechanics calculation; molecular dynamics simulation) : Supercomputer-assisted molecular-level understanding of materials and their chemistry; which leads to rational design of high-performance organic-inorganic-hybrid materials for clean and renewable energy as well as low-energy-consumption electronic devices
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- Department of Energy Science and EngineeringCMMM Lab(Curious Minds Molecular Modeling Laboratory)1. Journal Articles
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