“Hydration Shells” of CH2 Groups of ω-Amino Acids as Studied by Deuteron NMR Relaxation

Sevastyan O. Rabdano, Alexey V. Donets, Mikhail A. Vovk, Dieter Michel, Vladimir I. Chizhik

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© 2015 American Chemical Society.Hydration phenomena play a very important role in various processes, in particular in biological systems. Water molecules in aqueous solutions of organic compounds can be distributed among the following substructures: (i) hydration shells of hydrophilic functional groups of molecules, (ii) water in the environment of nonpolar moieties, and (iii) bulk water. Up to now, the values of hydration parameters suggested for the description of various solutions of organic compounds were not thoroughly analyzed in the aspect of the consideration of the total molecular composition. The temperature and concentration dependences of relaxation rates of water deuterons were studied in a wide range of concentration and temperature in aqueous (D2O) solutions of a set of ω-amino acids. Assuming the coordination number of the CH2 group equal to 7, which was determined from quantum-chemical calculations, it was found that the rotational correlation times of water molecules near the methylene grou
Original languageEnglish
Pages (from-to)13358–13366
Number of pages9
JournalJournal of Physical Chemistry B
Issue number42
StatePublished - 2015


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