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Pregled bibliografske jedinice broj: 800261

Study of the gas-phase fragmentation behaviour of sulfonatedpeptides


Škulj, Sanja; Rožman, Marko
Study of the gas-phase fragmentation behaviour of sulfonatedpeptides // International journal of mass spectrometry, 391 (2015), 11-16 doi:10.1016/j.ijms.2015.07.023 (međunarodna recenzija, članak, znanstveni)


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Naslov
Study of the gas-phase fragmentation behaviour of sulfonatedpeptides

Autori
Škulj, Sanja ; Rožman, Marko

Izvornik
International journal of mass spectrometry (1387-3806) 391 (2015); 11-16

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Posttranslational modifications ; Sulfonation ; Collision-induced dissociation ; Fragmentation mechanism ; Molecular modelling

Sažetak
A series of singly and doubly protonated peptides bearing sulfonated residue have been studied, usingboth experiment and molecular modelling, to elucidate fragmentation chemistry of sulfonated peptides.Collision-induced dissociation mass spectra indicate that the sulfo group loss (neutral loss of 80 Da) isthe dominant dissociation channel. Modelling results suggest the proton transfer mechanism, whereupon vibrational excitation, the acidic side chain proton is transferred from the sulfo group hydroxyl tothe ester oxygen resulting in S O bond cleavage and formation of the unmodified hydroxyl containingresidue and SO3. Conformations associated with potential energy profile of the reaction imply the chargeremote nature of the proposed mechanism. The proposed proton transfer mechanism was compared withthe intramolecular nucleophilic substitution (SN2) mechanism, the main pathway suggested for neutralloss of phosphoric acid from phosphopeptides. Both pathways (proton transfer and SN2) are available forsulfonated and phosphorylated peptides ; however, each posttranslational modification favours differentmechanism. The change of the bond dissociation enthalpies and the ability of stabilising the transitionstate structures are demonstrated as main factors responsible for each posttranslational modificationactivating a different pathway.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

Napomena
S.I.: Simon Gaskell honor issue.



POVEZANOST RADA


Ustanove:
Institut "Ruđer Bošković", Zagreb

Profili:

Avatar Url Marko Rožman (autor)

Avatar Url Sanja Škulj (autor)

Citiraj ovu publikaciju

Škulj, Sanja; Rožman, Marko
Study of the gas-phase fragmentation behaviour of sulfonatedpeptides // International journal of mass spectrometry, 391 (2015), 11-16 doi:10.1016/j.ijms.2015.07.023 (međunarodna recenzija, članak, znanstveni)
Škulj, S. & Rožman, M. (2015) Study of the gas-phase fragmentation behaviour of sulfonatedpeptides. International journal of mass spectrometry, 391, 11-16 doi:10.1016/j.ijms.2015.07.023.
@article{article, year = {2015}, pages = {11-16}, DOI = {10.1016/j.ijms.2015.07.023}, keywords = {Posttranslational modifications, Sulfonation, Collision-induced dissociation, Fragmentation mechanism, Molecular modelling}, journal = {International journal of mass spectrometry}, doi = {10.1016/j.ijms.2015.07.023}, volume = {391}, issn = {1387-3806}, title = {Study of the gas-phase fragmentation behaviour of sulfonatedpeptides}, keyword = {Posttranslational modifications, Sulfonation, Collision-induced dissociation, Fragmentation mechanism, Molecular modelling} }
@article{article, year = {2015}, pages = {11-16}, DOI = {10.1016/j.ijms.2015.07.023}, keywords = {Posttranslational modifications, Sulfonation, Collision-induced dissociation, Fragmentation mechanism, Molecular modelling}, journal = {International journal of mass spectrometry}, doi = {10.1016/j.ijms.2015.07.023}, volume = {391}, issn = {1387-3806}, title = {Study of the gas-phase fragmentation behaviour of sulfonatedpeptides}, keyword = {Posttranslational modifications, Sulfonation, Collision-induced dissociation, Fragmentation mechanism, Molecular modelling} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus


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