Stucture and electronic spectra of DNA mini-hairpins with [G.sub.n]: [C.sub.n] stems

Article Abstract:

The solution structure of a synthetic DNA mini-hairpin possessing a stillbenediether linker and three G:C base pairs is obtained using [super 1]H NMR spectral data and constrained torsion angle molecular dynamics. The result presents the utility of an integrated experimental and theoretical approach to understand the complex electronic spetra of pi-stacked chromophores.

Structure, Chemical properties, Nucleobases

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Electric polarizabiltiy of DNA in aqueous salt solution

Article Abstract:

Monte Carlo simulations are performed to determine the anisotropy of the electric polarizability of a model DNA fragment in aqueous salt solution. By taking into consideration the participation of coions in the electroneutrality condition, a list of counterions constituting the net charge arranged in increasing order of their distance from the DNA is obtained.

Monte Carlo method, Monte Carlo methods, Aqueous solution reactions

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Role of monovalent counterions in the ultrafast dynamics of DNA

Article Abstract:

The role of counterion motion to the electric-field dynamics in the interior of DNA is examined. The small ions have created indistinguishable dynamics, but an unexpected additional relaxation component in the nanosecond time range has occurred with larger counterions and ion binding is found to be weak or nonexistent.

Ions, Electric fields

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