Electron‐Capture‐Induced Dissociation of Microsolvated Di‐ and Tripeptide Monocations: Elucidation of Fragmentation Channels from Measurements of Negative Ions

Zettergren, Henning; Adoui, L.; Bernigaud, V.; Cederquist, H.; Haag, Nicole; Holm, Anne I. S.; Huber, B. A.; Hvelplund, P.; Johansson, H.; Kadhane, U.; Larsen, Mikkel Kofoed; Liu, Bo; Manil, B.; Nielsen, Steen Brøndsted; Panja, Subhasis; Rangama, Jimmy; Reinhed, Peter; Schmidt, H. T.; Støchkel, Kristian

doi:10.1002/cphc.200800782

Cited by 9 publications

(3 citation statements)

References 37 publications

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“…In addition, the well-known electro-spray ionization (ESI) technique [188] could be used to generate specific cluster targets for DEA. ESI is applied to transfer large biomolecules into the gas phase, and some collision studies with ESI-generated micro-hydrated systems have been carried out previously [189][190][191]. The production of charged clusters allows a specific target size to be separated by standard mass spectrometry.…”

Section: Discussionmentioning

confidence: 99%

Electron scattering processes: fundamentals, challenges, advances, and opportunities

Ptasińska

Varella²,

Khakoo³

et al. 2022

Eur. Phys. J. D

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Much effort has been devoted to describing qualitatively and quantitatively electron scattering processes due to their ever-increasing importance in many industrial and medical applications. We present achievements made in the last years, focusing on some of the advancements and recent progress in the field. Particular reference is made on concrete case studies to probe the level of accord in cross-section data obtained from experiments and theory, as well as on selected instrumentation developments to probe dynamics of dissociative processes induced by electron impact. We stress that the purpose of this colloquium paper is not to be a comprehensive review but rather to provide a snapshot of different research topics in electron scattering by pointing out certain challenges and, therefore, indicating opportunities to facilitate further experimental and theoretical work.

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Section: Discussionmentioning

confidence: 99%

Electron scattering processes: fundamentals, challenges, advances, and opportunities

Ptasińska

Varella²,

Khakoo³

et al. 2022

Eur. Phys. J. D

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“…Here, we concentrated our work on small peptides that have few reaction channels, rendering the peaks in the spectra easy to assign [21][22][23]. Arginine-containing peptides provide a strong signal in positive ion ESI-MS and are often used as model peptides [24,25].…”

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confidence: 99%

The relative charge ratio between C and N atoms in amide bond acts as a key factor to determine peptide fragment efficiency in different charge states

Sun

Zong

Liu

et al. 2010

J. Am. Soc. Mass Spectrom.

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The influence of charge state on the peptide dissociation behavior in tandem mass spectrometry (MS/MS) is worthy of discussion. Comparative studies of singly- and doubly-protonated peptide molecules are performed to explore the effect and mechanism of charge state on peptide fragmentation. In view of the charge-directed cleavage of protonated peptides described in the mobile proton model, radiolytic oxidation was applied to change the charge distribution of peptides but retain the sequence. Experimental studies of collision energy-dependent fragmentation efficiencies coupled with quantum chemical calculations indicated that the cleavage of ARRA and its side-chain oxidation products with oxygen atoms added followed a trend that doubly-protonated peptides fragment more easily than singly-protonated forms, while the oxidation product with the guanidine group deleted showed the opposite trend. By analyzing the charge distribution around the amide bonds, we found that the relative charge ratios between C and N atoms (Q(C)/Q(N)) in the amide bonds provided a reasonable explanation for peptide fragmentation efficiencies. An increase of the Q(C)/Q(N) value of the amide bond means that a peptide fragments more easily, and vice versa. The results described in this paper provide an experimental and calculation strategy for predicting peptide fragmentation efficiency.

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“…We have concentrated our work on small peptides, mainly dipeptides and tripeptides that can be made as doubly charged ions [30,38,39,41,52,53]. Such systems offer several advantages over larger peptides: there are few reaction channels, which renders the peaks in the spectra easy to assign.…”

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confidence: 99%

On the charge partitioning between c and z fragments formed after electron-capture induced dissociation of charge-tagged Lys-Lys and Ala-Lys dipeptide dications

Jensen

Holm

Zettergren

et al. 2009

J. Am. Soc. Mass Spectrom.

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Here we report on the charge partition between c and z fragments formed after femtosecond collisional electron-transfer from Cs atoms to charge-tagged peptide dications. Peptides chosen for study were Ala-Lys (AK) and Lys-Lys (KK) where one or both of the lysine -amino groups were trimethylated to provide one or two fixed charges. For peptides with only one charge tag, the other charge was obtained by protonation of an amino group. In some experiments the ammonium group was tagged by 18-crown-6-ether (CE). Since recombination energies decrease in the order:, it is possible to change the probability for the transferred electron to end up at either the N-terminal or the C-terminal residue by CE attachment. We find, however, that the individual recombination energies have little influence on the relative ratio between the yield of c and z ions as long as there are no mobile protons that can be transferred between the two fragments. Our results can be accounted for by the Utah-Washington model where the electron is captured into an amide * orbital that weakens the N-C ␣ bond and causes its breakage, followed by proton, electron, or hydrogen transfer between the c and z fragments that stay together as an ion-molecule complex for some time. The data are also in accordance with the notion that an amide group competes with the charged groups for the electron. Electron capture by charged groups results in loss of small neutrals such as hydrogen and ammonia. (J Am Soc

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Electron‐Capture‐Induced Dissociation of Microsolvated Di‐ and Tripeptide Monocations: Elucidation of Fragmentation Channels from Measurements of Negative Ions

Cited by 9 publications

References 37 publications

Electron scattering processes: fundamentals, challenges, advances, and opportunities

Electron scattering processes: fundamentals, challenges, advances, and opportunities

The relative charge ratio between C and N atoms in amide bond acts as a key factor to determine peptide fragment efficiency in different charge states

On the charge partitioning between c and z fragments formed after electron-capture induced dissociation of charge-tagged Lys-Lys and Ala-Lys dipeptide dications

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