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Understanding the origin of liquid crystal ordering of ultrashort double-stranded DNA

Title
Understanding the origin of liquid crystal ordering of ultrashort double-stranded DNA
Authors
Saurabh, SumanLansac, YvesJang, Yun HeeGlaser, Matthew A.Clark, Noel A.Maiti, Prabal K.
DGIST Authors
Jang, Yun Hee
Issue Date
2017-03-16
Citation
Physical Review E: Statistical, Nonlinear, and Soft Matter Physics, 95(3)
Type
Article
Article Type
Article
Keywords
Abiotic LigationAttractionCrystalline MaterialsCrystallizationDouble HelixDouble Stranded DNA (DS DNA)Double Stranded DNADuplexesLiquid Crystalline PhasisLiquid CrystallineLiquid Crystals (LCs)LiquidsMolecular Dynamics SimulationsMolecular DynamicsMolecular Dynamics SimulationsMonovalentOligomersPhase TransitionsSalt ConcentrationSequencesanisotropySupramolecular ColumnsThermodynamic Feasibility
ISSN
2470-0045
Abstract
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.
URI
http://hdl.handle.net/20.500.11750/4216
DOI
10.1103/PhysRevE.95.032702
Publisher
American Physical Society
Related Researcher
  • Author Jang, Yun Hee CMMM Lab(Curious Minds’ Molecular Modeling Laboratory)
  • Research Interests 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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Collection:
ETC1. Journal Articles


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