An NMR investigation has been carried out on amikacin in water solution in the physiological pH range. Two-dimenstional heterocorrelated maps provide H-1 NMR chemical shifts from the unambiguous assignment of the C-13 NMR spectrum. Reorientational dynamics at the molecular level are interpreted in terms of a pseudoisotropic motion with a correlation time of 0.17 ns at 300 K, The pH and temperature dependences of C-13 NMR chemical shifts are interpreted to delineate protonation equilibria (all pKs are determined) and to assess the occurrence of two intermolecular hydrogen bonds, which are confirmed by molecular modelling.
Determination of intramolecular hydrogen bonds in amikacin in water solution by NMR spectroscopy / E., Gaggelli; N., Gaggelli; A., Maccotta; G., Valensin; D., Marini; DI COCCO, Maria Enrica; Delfini, Maurizio. - In: SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY. - ISSN 1386-1425. - 51:11(1995), pp. 1959-1963. [10.1016/0584-8539(95)01548-9]
Determination of intramolecular hydrogen bonds in amikacin in water solution by NMR spectroscopy
DI COCCO, Maria Enrica;DELFINI, Maurizio
1995
Abstract
An NMR investigation has been carried out on amikacin in water solution in the physiological pH range. Two-dimenstional heterocorrelated maps provide H-1 NMR chemical shifts from the unambiguous assignment of the C-13 NMR spectrum. Reorientational dynamics at the molecular level are interpreted in terms of a pseudoisotropic motion with a correlation time of 0.17 ns at 300 K, The pH and temperature dependences of C-13 NMR chemical shifts are interpreted to delineate protonation equilibria (all pKs are determined) and to assess the occurrence of two intermolecular hydrogen bonds, which are confirmed by molecular modelling.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
