Abstract
The acid dissociation constants of form pK 1 = 7.34 ± 0.01, pK 2 = 7.84 ± 0.01, pK 3 = 8.77 ± 0.01, pK 4 = 9.49 ± 0.01, and pK 5 = 10.70 ± 0.02 of cationic amikacin are determined by pH-metric titration at 25°C against the background of 0.1 mol/L KNO3. K 1, K 2, K 3, and K 4 correspond to the dissociation of protons coordinated to amino groups, while K 5 characterizes the dissociation of the hydroxyl hydrogen atom, testifying to the amphoteric character of amikacin molecules. Applying density functional theory (DFT) with the B3LYP hybrid functional and the 6-311G**++ basis set, the partial charges on the atoms of an amikacin molecule are calculated. It is concluded that the dissociation of H(55)hydrogen atom occurs with a greatest partial charge of +0.53631.
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Original Russian Text © V.G. Alekseev, E.V. Markova, 2016, published in Zhurnal Fizicheskoi Khimii, 2016, Vol. 90, No. 3, pp. 380–385.
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Alekseev, V.G., Markova, E.V. Constants of acid‒base equilibria in an aqueous amikacin aminoglycoside solution at 298 K. Russ. J. Phys. Chem. 90, 586–591 (2016). https://doi.org/10.1134/S0036024416020035
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DOI: https://doi.org/10.1134/S0036024416020035