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

T.F.M. Luxford; E.M. Milner; N. Yoshikawa; C. Bullivant; C.E.H. Dessent

doi:10.1016/j.cplett.2013.05.040

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

T.F.M. Luxford, E.M. Milner, N. Yoshikawa, C. Bullivant, C.E.H. Dessent

Chemistry

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Pages (from-to)	1-5
Journal	Chemical Physics Letters
Volume	577
DOIs	https://doi.org/10.1016/j.cplett.2013.05.040
Publication status	Published - 9 Jul 2013

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10.1016/j.cplett.2013.05.040

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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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T2 - Effects of chain length on the geometry of extended ion binding

AU - Luxford, T.F.M.

AU - Milner, E.M.

AU - Yoshikawa, N.

AU - Bullivant, C.

AU - Dessent, C.E.H.

PY - 2013/7/9

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N2 - 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.

AB - 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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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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