Does the hydrated cytosine molecule retain the canonical structure? A DFT study

Article Abstract:

A DFT study of hydrated cytosine molecules was undertaken.

Usage, Density functionals, Density functional theory, Cytosine

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The effect of metal binding to the N7 site of purine nucleotides on their structure, energy, and involvement in base pairing

Article Abstract:

Direct binding of hydrated zinc and magnesium group divalent cations to the N7 position of purine nucleotides are investigated by ab initio quantum chemical calculations. The sugar-phosphate backbone provides significant screening of the charge of the metal while the backbone geometry can be affected by the cation.

All Other Basic Inorganic Chemical Manufacturing, Biological Product (except Diagnostic) Manufacturing, Industrial inorganic chemicals, not elsewhere classified, Nucleic Acid Derivatives, Magnesium Compounds, Nucleotides, Chemistry, Physical and theoretical, Physical chemistry, Zinc compounds, Magnesium trisilicate

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Tautomeric equilibrium, stability, and hydrogen bonding in 2'-deoxyguanosine monophosphate complexed with [Mg.sup.2}

Article Abstract:

An ab initio calculation results for the interaction of 2'deoxyguanosine monophosphate with the hydrated [Mg.sup.2} cation is presented. The studies provide insight into significant influence of the presence of hydrated [Mg.sup.2} on formation of several hydrogen bonds between hydrated [Mg.sup.2} and guanine and also on pyramidalization of the amino group.

Primary nonferrous metals, not elsewhere classified, Observations, Magnesium, Magnesium (Metal), Guanosine, Tautomers

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