Publications by authors named "Ingrid Romancova"

Cy3 and Cy5 cyanine dyes terminally attached to the 5'C end (C1) of the DNA oligonucleotide were studied by metadynamics (MTD), molecular dynamics (MD), and density-functional methods with dispersion corrections (DFT-D). MTD simulations explored the free energy surface (FES) of the dye-DNA interactions, which included stacking and major groove binding motifs and unstacked structures. Dynamics of the stacked structures was studied by the MD simulations.

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Lake Bonney is one of several permanently ice-covered lakes in the McMurdo Dry Valleys, Antarctica, which maintain the only year-round biological activity on the Antarctic continent. Vertically stratified populations of autotrophic microorganisms occupying the water columns are adapted to numerous extreme conditions, including very low light, hypersalinity, ultra-oligotrophy and low temperatures. In this study, we integrated molecular biology, microscopy, flow cytometry, and functional photochemical analyses of the photosynthetic communities residing in the east and west basins of dry valley Lake Bonney.

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Article Synopsis
  • The study investigates how uracil interacts with Mg(2+) ions in both gas and liquid environments, highlighting different binding preferences based on ion conditions.
  • In a bare state, Mg(2+) binds bidentately to uracil's N-C═O sites, stabilizing unique keto-enol forms, but becomes shielded in solutions, favoring monodentate binding and shifting the equilibrium to the diketo form.
  • The research also includes comparisons with Ca(2+) ions and employs analytical techniques like natural bond orbital (NBO) and atoms in molecule (AIM) analyses to support its findings.
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