Analytical and Computational Studies of Intramolecular Electron Transfer Pertinent to Electron Transfer and Electron Capture Dissociation Mass Spectrometry
نویسندگان
چکیده
منابع مشابه
Distance dependence of through-bond electron transfer rates in electron-capture and electron-transfer dissociation
Ab initio electronic structure calculations on model cations containing a disulfide linkage and a protonated amine site are carried out to examine ow the rate of electron transfer from a Rydberg orbital on the amine site to the S S * orbital depends upon the distance between these two rbitals. These simulations are relevant to both electron-capture and electron-transfer dissociation mass spectr...
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We have made use of classical dynamics trajectory simultions and ab initio electronic structure calculations to estimate the cross sections with which electrons are attached (in electron capture dissociation (ECD)) or transferred (in electron transfer dissociation (ETD)) to a model system that contained both an S-S bond that is cleaved and a -NH(3)(+) positively charged site. We used a Landau-Z...
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Cardiac troponin I (cTnI), the inhibitory subunit of the thin filament troponin-tropomyosin regulatory complex, is required for heart muscle relaxation during the cardiac cycle. Expressed only in cardiac muscle, cTnI is widely used in the clinic as a serum biomarker of cardiac injury. In vivo function of cTnI is influenced by phosphorylation and proteolysis; therefore analysis of post-translati...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry A
سال: 2009
ISSN: 1089-5639,1520-5215
DOI: 10.1021/jp9057059