Velocity distributions of analyte molecules in matrix-assisted laser desorption from computer simulations

Leonid V. Zhigilei, Barbara Jane Garrison

Research output: Contribution to journalArticle

63 Citations (Scopus)

Abstract

The mass dependence of the velocity distributions of analyte molecules in matrix-assisted laser desorption is analyzed based on the results of molecular dynamics simulations. The spread of the velocities along the direction of the flow is found to be independent of the mass of the analyte molecules and to reflect the entrainment of the analyte molecules in the expanding matrix. The radial velocity distributions for both matrix molecules and analyte molecules of different masses, on the other hand, fit well to a Maxwell-Boltzmann distribution with the same temperature, suggesting the association of the' spread in the radial velocities with the thermal motion in the plume. A consistent analytical description of the complete velocity distribution for matrix molecules and analyte molecules of different masses is proposed based on the approximation of a range of stream velocities and a single temperature in the ejected plume.

Original languageEnglish (US)
Pages (from-to)1273-1277
Number of pages5
JournalRapid Communications in Mass Spectrometry
Volume12
Issue number18
DOIs
StatePublished - Jan 1 1998

Fingerprint

Velocity distribution
Desorption
Molecules
Lasers
Computer simulation
Molecular dynamics
Association reactions
Temperature

All Science Journal Classification (ASJC) codes

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry

Cite this

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abstract = "The mass dependence of the velocity distributions of analyte molecules in matrix-assisted laser desorption is analyzed based on the results of molecular dynamics simulations. The spread of the velocities along the direction of the flow is found to be independent of the mass of the analyte molecules and to reflect the entrainment of the analyte molecules in the expanding matrix. The radial velocity distributions for both matrix molecules and analyte molecules of different masses, on the other hand, fit well to a Maxwell-Boltzmann distribution with the same temperature, suggesting the association of the' spread in the radial velocities with the thermal motion in the plume. A consistent analytical description of the complete velocity distribution for matrix molecules and analyte molecules of different masses is proposed based on the approximation of a range of stream velocities and a single temperature in the ejected plume.",
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Velocity distributions of analyte molecules in matrix-assisted laser desorption from computer simulations. / Zhigilei, Leonid V.; Garrison, Barbara Jane.

In: Rapid Communications in Mass Spectrometry, Vol. 12, No. 18, 01.01.1998, p. 1273-1277.

Research output: Contribution to journalArticle

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AB - The mass dependence of the velocity distributions of analyte molecules in matrix-assisted laser desorption is analyzed based on the results of molecular dynamics simulations. The spread of the velocities along the direction of the flow is found to be independent of the mass of the analyte molecules and to reflect the entrainment of the analyte molecules in the expanding matrix. The radial velocity distributions for both matrix molecules and analyte molecules of different masses, on the other hand, fit well to a Maxwell-Boltzmann distribution with the same temperature, suggesting the association of the' spread in the radial velocities with the thermal motion in the plume. A consistent analytical description of the complete velocity distribution for matrix molecules and analyte molecules of different masses is proposed based on the approximation of a range of stream velocities and a single temperature in the ejected plume.

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