Surface-Induced Dissociation of the Benzene Molecular Cation in Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

Rakov, V. Sergey; Denisov, Eduard; Laskin, Julia

doi:10.1021/jp010245d

Cited by 20 publications

(21 citation statements)

References 63 publications

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“…The fact that the energy scale in SIU can be well-described by relation to CIU data implies that SIU, like CIU, can be understood as a primarily thermal process, in which the observed extent of unfolding in SIU is determined in large part by the amount of energy deposited into and equilibrated among the ion's internal modes. This result is in agreement with the majority of previous experimental and theoretical work on SID of small molecules, peptides, and proteins 30,31,55–57…”

Section: Resultssupporting

confidence: 92%

Experimental and theoretical investigation of overall energy deposition in surface-induced unfolding of protein ions

2019

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Section: Resultssupporting

confidence: 92%

Experimental and theoretical investigation of overall energy deposition in surface-induced unfolding of protein ions

2019

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“…[4][5][6][7] In surface-induced dissociation (SID), ions are energized by their collisions with a surface and this mass spectrometry technique has been successfully applied to study a wide variety of fragmentations ranging from relatively small ions [8][9][10][11][12][13] to high-mass biomolecules. [14][15][16][17][18] If electronic excitation is unimportant, the collision's translational energy E i is partitioned between the final translational energy E f , and transferred to the internal vibrational/rotational modes of the ion, ∆E int , and the vibrations of the surface, ∆E surf…”

Section: Introductionmentioning

confidence: 99%

Chemical Dynamics Simulations of Energy Transfer in Collisions of Protonated Peptide−Ions with a Perfluorinated Alkylthiol Self-Assembled Monolayer Surface

et al. 2008

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Classical trajectory simulations are performed to study energy transfer in collisions of protonated diglycine, gly 2 -H + , and dialanine, ala 2 -H + , ions with a fluorinated octanethiol self-assembled monolayer (F-SAM) surface for collision energies E i in the range of 5-70 eV and incident angles θ i of 0 and 45°with respect to the surface normal. Both explicit-atom (EA) and united-atom (UA) models were used to represent the F-SAM surface. The simulations show the distribution of energy transfer to the peptide-ion's internal degrees of freedom, ∆E int , to the surface, ∆E surf , and in peptide-ion translation, E f , are very similar for gly 2 -H + , and ala 2 -H + . The average percentage energy transferred to ∆E surf and E f increases and decreases, respectively, with an increase in E i , while the average percentage energy transfer to ∆E int is nearly independent of E i . Changing θ i from 0 to 45°decreases and increases the percentage of energy transfer to ∆E surf and E f , respectively, but has little change in the transfer to ∆E int . Average percentage energy transfer to the surface is found to approximately depend on E i according to exp(-b/E i ). Comparisons with previous simulations show that peptide-H + collisions with the EA F-SAM model transfer approximately a factor of 2 more energy to ∆E int than do collisions with the hydrogenated SAM, that is, H-SAM. Replacing the mass of the F atoms by that of a H atom in the simulations, without changing the potential, shows that the different ∆E int energy transfer efficiencies for the F-SAM and H-SAM surfaces is a mass effect. The simulations for ala 2 -H + colliding with the EA F-SAM surface give P(∆E int ) distributions in good agreement with previous experiments and an average transfer to ∆E int of 15% as compared with the experimental value of 21%. The UA F-SAM model gives energy transfer efficiencies in qualitative agreement with those of the EA model, but there are important quantitative differences.

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“…Because heat, electron impact, and collision all increase the internal energy of an organic compound, the respective fragmentation processes can be expected to share common mechanisms (Vékey, 1996 ). A similar interpretation, therefore, can be applied to impact dissociation of organic matter (Wörgötter et al , 1997 ; Rakov et al , 2002 ; Delcorte et al , 2009 ) from icy moons in the outer Solar System. Minimum fragmentation of organic compounds occurs at <5 km/s flyby speeds, while greater impact energies would be expected to lead to higher proportions of macromolecular fragments present in the mass spectra (Jaramillo-Botero et al , 2012 ).…”

Section: Discussionmentioning

confidence: 96%

How to Detect Life on Icy Moons

2018

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The icy moons of the outer Solar System present the possibility of subsurface water, habitable conditions, and potential abodes for life. Access to evidence that reveals the presence of life on the icy moons can be facilitated by plumes that eject material from the subsurface out into space. One instrument capable of performing life-search investigations at the icy moons is the MAss SPectrometer for Planetary EXploration/Europa (MASPEX), which constitutes a high-resolution, high-sensitivity multibounce time-of-flight mass spectrometer capable of measuring trace amounts (ppb) of organic compounds. MASPEX has been selected for the NASA Europa Clipper mission and will sample any plumes and the surface-sputtered atmosphere to assess any evidence for habitability and life. MASPEX is capable of similar investigations targeted at other icy moons. Data may be forthcoming from direct sampling but also impact dissociation because of the high speed of some analytes. Impact dissociation is analogous to the dissociation provided by modern analytical pyrolysis methods. Radiolytic dissociation on the europan surface before or during the sputtering process can also induce fragmentation similar to pyrolysis. In this study, we have compiled pyrolysis mass spectrometry data from a variety of biological and nonbiological materials to demonstrate the ability of MASPEX to recognize habitability and detect life in any plumes and atmospheres of icy moons.

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Surface-Induced Dissociation of the Benzene Molecular Cation in Fourier Transform Ion Cyclotron Resonance Mass Spectrometry

Cited by 20 publications

References 63 publications

Experimental and theoretical investigation of overall energy deposition in surface-induced unfolding of protein ions

Experimental and theoretical investigation of overall energy deposition in surface-induced unfolding of protein ions

Chemical Dynamics Simulations of Energy Transfer in Collisions of Protonated Peptide−Ions with a Perfluorinated Alkylthiol Self-Assembled Monolayer Surface

How to Detect Life on Icy Moons

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