Dynamics of biological molecules irradiated by short x-ray pulses.

Very short and intense x-ray pulses can be used for diffraction imaging of single biological molecules. Inevitably, x-ray absorption initiates damage that degrades the molecule's image. This paper presents a continuum model of the physics that leads to damage when a small particle absorbs a large x-ray dose. The main processes are found to be ionization and Coulomb-force driven atomic motion. Trapping of electrons, Debye shielding, and nonuniform collisional ionization all have a significant effect on the overall damage kinetics.

[1]  R. Henderson The potential and limitations of neutrons, electrons and X-rays for atomic resolution microscopy of unstained biological molecules , 1995, Quarterly Reviews of Biophysics.

[2]  B. L. Henke,et al.  X-Ray Interactions: Photoabsorption, Scattering, Transmission, and Reflection at E = 50-30,000 eV, Z = 1-92 , 1993 .

[3]  F. J. Smith,et al.  Recommended Data on the Electron Impact Ionization of Atoms and Ions: Fluorine to Nickel , 1988 .

[4]  T. N. Bhat,et al.  The Protein Data Bank , 2000, Nucleic Acids Res..

[5]  J. Hajdu,et al.  Diffraction imaging of single particles and biomolecules. , 2003, Journal of structural biology.

[6]  Rudd,et al.  Binary-encounter-dipole model for electron-impact ionization. , 1994, Physical review. A, Atomic, molecular, and optical physics.

[7]  A. Bandrauk,et al.  Two-step Coulomb explosions of diatoms in intense laser fields , 1995 .

[8]  E. Saldin,et al.  On the possibility of using a free electron laser for polarization of electrons in storage rings , 1982 .

[9]  Mikhail Shashkov,et al.  Formulations of Artificial Viscosity for Multi-dimensional Shock Wave Computations , 1998 .

[10]  R. Courant,et al.  Über die partiellen Differenzengleichungen der mathematischen Physik , 1928 .

[11]  C. Pellegrini,et al.  Generation of high-intensity coherent radiation in the soft-x-ray and vacuum-ultraviolet region , 1985 .

[12]  J. Solem,et al.  Microholography of Living Organisms , 1982, Science.

[13]  R. D. Richtmyer,et al.  A Method for the Numerical Calculation of Hydrodynamic Shocks , 1950 .

[14]  F. J. Smith,et al.  Recommended Data on the Electron Impact Ionization of Light Atoms and Ions , 1983 .

[15]  David van der Spoel,et al.  Space-time evolution of electron cascades in diamond , 2002 .

[16]  J. Hajdu,et al.  Potential for biomolecular imaging with femtosecond X-ray pulses , 2000, Nature.

[17]  J. Solem,et al.  X-Ray Biomicroholography , 1984 .

[18]  Imaging atom clusters by hard X-ray free-electron lasers , 2003, cond-mat/0309083.

[19]  E. J. Mcguire K -Shell Auger Transition Rates and Fluorescence Yields for Elements Be-Ar , 1969 .

[20]  Dmitri A. Verner,et al.  SUBSHELL PHOTOIONIZATION CROSS-SECTIONS AND IONIZATION ENERGIES OF ATOMS AND IONS FROM HE TO ZN , 1993 .