Molecular dynamics was used to analzye energy transfer rates between matrix and guest molecules in matrix-assisted laser desorption allowing for a large number of internal degrees of freedom. The effect of initial matrix temperature jump on internal energy equilibration times and on guest limiting t
Dynamics of hydrogen bonding and energy transfer in matrix-assisted laser desorption
β Scribed by Akos Bencsura; Akos Vertes
- Publisher
- Elsevier Science
- Year
- 1995
- Tongue
- English
- Weight
- 486 KB
- Volume
- 247
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
A molecular dynamics simulation of matrix-assisted laser desorption is presented for host and guest particles with internal structure. The laser-induced phase transition is modeled in a hemispherical volume of pyridine-3-carboxylic acid matrix seeded with a leucine enkephalin guest molecule. Following an instantaneous temperature jump to 1500 K, representing the laser excitation, the network of hydrogen bonds is disrupted in approximately 3 ps. After a 0.7 ps segregation period, the guest molecule is entrained by the evaporating matrix molecules. The guest lift-off velocity is estimated at = 156 m/s, a value about a factor of two lower than measured for neutral matrix molecules in similar systems.
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