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Electron-Capture-In...
Electron-Capture-Induced Dissociation of Microsolvated Di- and > Tripeptide Monocations : Elucidation of Fragmentation Channels from > Measurements of Negative Ions
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- Zettergren, Henning (author)
- Stockholms universitet,Fysikum,Atomfysik
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Adoui, Lamri (author)
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Bernigaud, Virgile (author)
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- Cederquist, Henrik (author)
- Stockholms universitet,Fysikum,Atomfysik
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- Haag, Nicole (author)
- Stockholms universitet,Fysikum,Atomfysik
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- Holm, Anne I. S. (author)
- Stockholms universitet,Fysikum,Atomfysik
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Huber, Bernd A. (author)
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Hvelplund, Preben (author)
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- Johansson, Henrik A. B. (author)
- Stockholms universitet,Fysikum,Atomfysik
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Kadhane, Umesh (author)
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Larsen, Mikkel Kofoed (author)
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Liu, Bo (author)
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Manil, Bruno (author)
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Bröndsted Nielsen, Steen (author)
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Panja, Subhasis (author)
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Rangama, Jimmy (author)
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- Reinhed, Peter (author)
- Stockholms universitet,Fysikum,Atomfysik
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- Schmidt, Henning T. (author)
- Stockholms universitet,Fysikum,Atomfysik
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Stöchkel, Kristian (author)
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(creator_code:org_t)
- Wiley, 2009
- 2009
- English.
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In: ChemPhysChem. - : Wiley. - 1439-4235 .- 1439-7641. ; 10:9-10, s. 1619-1623
- Related links:
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Subject headings
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- The branching ratio between ammonia loss and NCα bond cleavage of singly charged microsolvated peptides after electron capture from cesium depends on the solvent molecule attached. Density functional calculations reveal that for [GA+H]+(CE) (G=glycine, A=alanine, CE=crown ether), the singly occupied molecular orbital of the neutral radical is located mainly on the amide group (see picture). The results from an experimental study of bare and microsolvated peptide monocations in high-energy collisions with cesium vapor are reported. Neutral radicals form after electron capture from cesium, which decay by H loss, NH3 loss, or NCα bond cleavage into characteristic z. and c fragments. The neutral fragments are converted into negatively charged species in a second collision with cesium and are identified by means of mass spectrometry. For protonated GA (G=glycine, A=alanine), the branching ratio between NH3 loss and NCα bond cleavage is found to strongly depend on the molecule attached (H2O, CH3CN, CH3OH, and 18-crown-6 ether (CE)). Addition of H2O and CH3OH increases this ratio whereas CH3CN and CE decrease it. For protonated AAA ([AAA+H]+), a similar effect is observed with methanol, while the ratio between the z1 and z2 fragment peaks remains unchanged for the bare and microsolvated species. Density functional theory calculations reveal that in the case of [GA+H]+(CE), the singly occupied molecular orbital is located mainly on the amide group in accordance with the experimental results.
Subject headings
- NATURVETENSKAP -- Fysik (hsv//swe)
- NATURAL SCIENCES -- Physical Sciences (hsv//eng)
Keyword
- cations
- electron transfer
- excited states
- mass spectrometry
- peptides
- Physics
- Fysik
- fysik
- Physics
Publication and Content Type
- ref (subject category)
- art (subject category)
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- By the author/editor
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Zettergren, Henn ...
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Adoui, Lamri
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Bernigaud, Virgi ...
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Cederquist, Henr ...
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Haag, Nicole
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Holm, Anne I. S.
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show more...
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Huber, Bernd A.
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Hvelplund, Prebe ...
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Johansson, Henri ...
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Kadhane, Umesh
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Larsen, Mikkel K ...
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Liu, Bo
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Manil, Bruno
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Bröndsted Nielse ...
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Panja, Subhasis
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Rangama, Jimmy
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Reinhed, Peter
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Schmidt, Henning ...
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Stöchkel, Kristi ...
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show less...
- About the subject
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Physical Science ...
- Articles in the publication
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ChemPhysChem
- By the university
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Stockholm University