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Complexation of carboxylate anions with the arginine gas-phase amino acid: Effects of chain length on the geometry of extended ion binding

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JournalChemical Physics Letters
DatePublished - 9 Jul 2013
Volume577
Pages (from-to)1-5
Original languageEnglish

Abstract

Complexation of deprotonated carboxylic acids with arginine was investigated using collision-induced dissociation to probe the nature of isolated carboxylate-amino acid interactions as a function of anion size. Monocarboxylic CH(CH)COO ·Arg (n = 3-7, 9, 10) and dicarboxylic acid COOH(CH )COO·Arg (n = 3-5, 7-10) complexes were investigated. For the dicarboxylic acid clusters, chain length has a significant effect on the %fragmentation energies with the n = 9, 10 systems fragmenting at significantly lower energies than the corresponding shorter chain systems. Molecular mechanics calculations suggest that this fragmentation energy shift is associated with the longer-chain dicarboxylic acid-Arg clusters switching to ring structures.

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