0000000000121447
AUTHOR
Piotr Cysewski
Structure and properties of hydroxyl radical modified nucleic acid components II. 8-Oxo-adenine and 8-oxo-2′-deoxy-adenosine
Abstract The tautomerism of the 8-oxo-adenine (8-oxo-A) and 8-oxo-2′-deoxy-adenosine (8-oxo-dA) was analysed on the basis of semiempirical, SCF ab initio and DFT density functional quantum chemistry calculations. The results of full gradient geometry optimisation of all possible 8-oxo-A and 8-oxo-dA structures lead to the conclusion that the most stable form is 8-keto-6-amino-tautomer. The second stable tautomer corresponds to 8-hydroxy-isomer. Such an order was unchanged after solvating process. In all studied solvents: water, methanol, acetone, cyclohexane the keto-tautomer proceeds the enol one. The preferred N-glycoside torsion angle corresponds to syn rotamer of 8-oxo-dA in all studied…
Multivalent ion-exchange model of biopolymer chromatography for mass overload conditions
Abstract The simple model of multivalent ion-exchange biopolymer chromatography is analyzed on the basis of classical quasi-chemical temperature. The rigorous isotherm equation deduced from the stoichiometric displacement model (SDM) was used to stimulate the migration of a solute through the chromatographic column in the isocratic and gradient elution modes. The peak profiles generated for various sample sizes were compared with those obtained on the basis of a Langmuir isotherm. Peak tailing increases with the value of the exponent Z, defined as the ratio of the protein valency to the displacing counter-ion valency. For large Z the asymmetries due to the non-linearity of the isotherm are …