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Gas phase structure of sodiated amino acids probed by H/D exchange reactions

Rožman, Marko (2005) Gas phase structure of sodiated amino acids probed by H/D exchange reactions. Croatica Chemica Acta, 78 (2). pp. 185-188. ISSN 0011-1643

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Taking into account the difference in structure of a sodiated gas phase amino acid in its zwitterionic and charge solvated forms, gas phase structures of sodiated histidine, lysine, phenylalanine, proline, tryptophan and tyrosine were probed by H/D exchange reactions. Experiment results obtained from the site-specific reaction rate constants indicated the zwitterionic structure for all the sodiated amino acids studied. In contrast, B3LYP calculations for sodiated lysine, along with the already presented theoretical results for other amino acids studied, show the charge solvated form to be stable, except for praline which is in the zwitterionic form. Absence of HID exchange in sodiated methyl esters of phenylalanine and histidine, along with the discrepancy between experimental and theoretical data for the amino acids studied, indicates that H/D exchange occurs only when sodiated amino acids are in the zwitterionic form.

Item Type: Article
Uncontrolled Keywords: gas phase structure; sodium cationized amino acids; sodium cationized amino acid esters; mass spectrometry; density functional theory; zwitterionic structure; glycine oligomers; NA+ affinities; kinetics; ND3
Subjects: NATURAL SCIENCES > Chemistry
Divisions: Division of Physical Chemistry
Project titleProject leaderProject codeProject type
Reaktivnost i reakcijski mehanizmiDunja Srzić0098032MZOS
Depositing User: Marko Rožman
Date Deposited: 06 Nov 2013 10:17

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