Transition metals as electron traps. I. Structures, energetics, electron capture, and electron-transfer-induced dissociations of ternary copper-peptide complexes in the gas phase

Journal of Mass Spectrometry : JMS
František TurečekPreben Hvelplund

Abstract

Electron-induced dissociations of gas-phase ternary copper-2,2'-bipyridine complexes of Gly-Gly-Gly and Gly-Gly-Leu were studied on a time scale ranging from 130 ns to several milliseconds using a combination of charge-reversal ((+)CR(-)) and electron-capture-induced dissociation (ECID) measured on a beam instrument and electron capture dissociation (ECD) measured in a Penning trap. Charge-reduced intermediates were observed on the short time scale in the (+)CR(-) and ECID experiments but not in ECD. Ion dissociations following electron transfer or capture mostly occurred by competitive bpy or peptide ligand loss, whereas peptide backbone fragmentations were suppressed in the presence of the ligated metal ion. Extensive electron structure theory calculations using density functional theory and large basis sets provided optimized structures and energies for the precursor ions, charge-reduced intermediates, and dissociation products. The Cu complexes underwent substantial structure changes upon electron capture. Cu was calculated to be pentacoordinated in the most stable singly charged complexes of the [Cu(peptide-H)bpy](+*) type where it carried a approximately +1 atomic charge. Cu coordination in charge-reduced [Cu(peptide-H)bp...Continue Reading

References

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Citations

Apr 8, 2011·Journal of the American Society for Mass Spectrometry·Xiangfeng ChenTak Wah Dominic Chan
Sep 29, 2011·Journal of the American Society for Mass Spectrometry·Magdalena ZimnickaFrantišek Tureček
Sep 29, 2011·Journal of the American Society for Mass Spectrometry·Xiangfeng ChenT-W Dominic Chan
Dec 14, 2011·Journal of the American Society for Mass Spectrometry·Jia Dong, Richard W Vachet
Jan 4, 2013·Journal of the American Society for Mass Spectrometry·Tawnya G FlickEvan R Williams
Aug 5, 2009·Journal of the American Society for Mass Spectrometry·Camilla Skinnerup JensenSteen Brøndsted Nielsen
Dec 17, 2009·Journal of the American Society for Mass Spectrometry·Malgorzata A KaczorowskaHelen J Cooper
May 9, 2013·Chemical Reviews·František Tureček, Ryan R Julian
Feb 4, 2014·Journal of the American Society for Mass Spectrometry·Rebecca H WillsPeter B O'Connor
Feb 13, 2016·Rapid Communications in Mass Spectrometry : RCM·Xiangfeng ChenT-W Dominic Chan
Aug 29, 2009·Rapid Communications in Mass Spectrometry : RCM·Linda FeketeováRichard A J O'Hair
Nov 7, 2019·Journal of Inorganic Biochemistry·Zhifeng DuNicholas P Farrell
Nov 6, 2020·Chemical Reviews·Eric GloaguenMarkus Gerhards

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