Excited-state properties of flavin radicals in flavoproteins: femtosecond spectroscopy of DNA photolyase, glucose oxidase, and flavodoxin

Article Abstract:

A study was conducted, with the femtosecond transient absorption spectroscopy of flavin adenine dinucleotide cofactor (FADH), to examine the excited-state properties of flavin radicals in photolyase, glucose oxidase, and flavodoxin. The result reveals no electron-transfer products in glucose oxidase and flavodoxin.

Crystals, Crystal structure, Absorption spectra

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Ion pairing as a possible clue for discriminating between sodium and potassium in biological and other complex environments

Article Abstract:

The calculation results for the relatively strong anion specific ion pairing preference of sodium versus potassium are presented. The findings rationalize the weak ion-specific effect of sodium and potassium at the surface of hydrated DNA.

Ion channels, Mechanical properties, Structure, Hydration (Chemistry)

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Molecular dynamics simulations of DNA using the generalized Born solvation model: quantitative comparisons with explicit solvation results

Article Abstract:

A study was conducted to evaluate the generalized Born/surface area (GB/SA) model. The result confirms that the utility and reliability of the GB/SA method as a computationally efficient alternative to the explicitly solvated simulations.

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