Hydrogen Atom Set up by Electron Capture Describing a Continuous Path

Author(s):  
D. L. Nascimento ◽  
A. L. A. Fonseca
2002 ◽  
Vol 8 (6) ◽  
pp. 461-469 ◽  
Author(s):  
Kim F. Haselmann ◽  
Bogdan A. Budnik ◽  
Frank Kjeldsen ◽  
Nicolas C. Polfer ◽  
Roman A. Zubarev

It has been suggested that small losses from reduced peptide molecular species in electron capture dissociation (ECD) could indicate the presence of certain amino acids [H.J. Cooper, R.R. Hudgins, K. Håkansson and A.G. Marshall, J. Am Soc. Mass Spectrom 13, 241 (2002)], similarly to immonium ions in high-energy collision-activated dissociation. The diagnostic value in ECD of the (M•–X) region (1 Da ≤ X ≤ 130 Da) was tested on several synthetic peptides. The insufficiency of the existing knowledge for making correct conclusions on the amino acid composition is demonstrated and new suggestions of the origin of losses are presented based on the “hot hydrogen atom” ECD mechanism. Generally, it is shown that not only protonation but also charge solvation is responsible for the small losses. The origin of 17 Da and 59 Da losses is revisited and a new mechanism for the 18 Da loss is suggested. The loss of a side chain plus a hydrogen atom is found to be a rather reliable indicator of the presence of histidine, tryptophan, tyrosine and, to a lesser degree, threonine. The overall conclusion is that the (M• - X) region does contain information on the amino acid composition, but extraction of this information requires additional studies.


1997 ◽  
Vol 39 (1) ◽  
pp. 29-34 ◽  
Author(s):  
Li Shu-Min ◽  
Miao Yan-Gang ◽  
Zhou Zi-Fang ◽  
Chen Ji ◽  
Liu Yao-Yang

2021 ◽  
Author(s):  
Iman Ziaeian ◽  
Károly Tőkési

Abstract We present state-selective electron capture cross sections in collision between Be4+ and ground state hydrogen atom. The n- and nl-selective electron capture cross sections are calculated by a three-body classical trajectory Monte Carlo method (CTMC) and by a classical simulation schema mimicking quantum features of the collision system. The quantum behavior is taken into account with the correction term in the Hamiltonian as was proposed by Kirschbaum and Wilets (C. L. Kirschbaun, and L. Wilet, Phys. Rev. A 21, 834 (1980)). Calculations are carried out in the projectile energy range of 1-1000 keV/amu. We found that our model for Be4++ H(1s) system remarkably improves the obtained state-selective electron capture cross sections, especially at lower projectile energies. Our results are very close and are in good agreement with the previously obtained quantum-mechanical results. Moreover our model with simplicity can time efficiently carry out simulations where maybe the quantum mechanical ones become complicated, therefore, our model should be an alternative way to calculate accurate cross sections and maybe can replace the quantum-mechanical methods.


2002 ◽  
Vol 8 (2) ◽  
pp. 177-180 ◽  
Author(s):  
Kathrin Breuker ◽  
HanBin Oh ◽  
Blas A. Cerda ◽  
David M. Horn ◽  
Fred W. McLafferty

In electron-capture dissociation (ECD), a multiply-protonated protein ion, trapped in a Fourier transform-ion cyclotron resonance (FT-ICR) cell, captures a low-energy electron at a protonated site. In a major reaction pathway, the resulting hydrogen atom attacks a backbone carbonyl oxygen to form a hypervalent species that immediately dissociates into a complementary c, z• ion pair. For larger proteins, the reduced odd-electron ion (M + nH)( n −1)+• is a major product, as shown here using isotopically isolated precursors. In addition, a hydrogen atom can be lost without further reaction, yielding the [M + ( n −1)H]( n −1)+ even-electron ions. The large effect of charge state on the yield of these ions suggests that the 9+ to 11+ charge states have novel charge-solvated secondary structures.


1966 ◽  
Vol 144 (1) ◽  
pp. 56-59 ◽  
Author(s):  
D. Basu ◽  
N. C. Sil ◽  
D. M. Bhattacharya

Author(s):  
Hong Zhou ◽  
Thomas Castillo

Regular nonadjustable four-bar linkages can only generate the desired continuous paths approximately. The whole desired continuous path can be generated precisely by an adjustable four-bar linkage with the one-degree-of-freedom adjustment of the pivot location of the driven side link. In this paper, an adjustment R joint is used to adjust the pivot location of the driven side link in the four-bar linkage. A closed-loop 5R linkage is formed by the adjustable four-bar linkage. The linkage feasibility conditions and path generation flexibilities of the adjustable four-bar linkages are analyzed. The synthesis model of the adjustable four-bar linkages is set up based on the required optimal adjustment of the pivot location when the desired continuous path is precisely generated. The global optimal solution is searched by a genetic algorithm in which the involved constraints are handled using the function penalty method. The effectiveness of the synthesis approach proposed in the paper is verified by two demonstrated examples.


2011 ◽  
Vol 26 (21) ◽  
pp. 3641-3651 ◽  
Author(s):  
R. R. CUZINATTO ◽  
C. A. M. DE MELO ◽  
L. G. MEDEIROS ◽  
P. J. POMPEIA

We investigate the possibility of detecting the Podolsky generalized electrodynamics constant a. First we analyze an ion interferometry apparatus proposed by B. Neyenhuis et al. ( Phys. Rev. Lett.99, 200401 (2007)), who looked for deviations from Coulomb's inverse-square law in the context of Proca model. Our results show that this experiment has not enough precision for measurements of a. In order to set up bounds for a, we investigate the influence of Podolsky's electrostatic potential on the ground state of the Hydrogen atom. The value of the ground state energy of the Hydrogen atom requires Podolsky's constant to be smaller than 5.6 fm, or in energy scales larger than 35.51 MeV.


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