On the Feasibility of Nanocrystal Imaging Using Intense and Ultrashort X-ray Pulses

被引：54

作者：

Caleman, Carl ^{[2
,3
]}

Huldt, Gosta ^{[1
]}

Maia, Filipe R. N. C. ^{[1
]}

Ortiz, Carlos ^{[4
]}

Parak, Fritz G. ^{[2
]}

Hajdu, Janos ^{[1
]}

van der Spoel, David ^{[1
]}

Chapman, Henry N. ^{[3
,5
]}

Timneanu, Nicusor ^{[1
]}

机构：

[1] Uppsala Univ, Biomed Ctr, Dept Cell & Mol Biol, SE-75124 Uppsala, Sweden

[2] Tech Univ Munich, Dept Phys E17, DE-85748 Garching, Germany

[3] DESY, Ctr Free Electron Laser Sci, DE-22607 Hamburg, Germany

[4] Goethe Univ Frankfurt, Inst Theoret Phys, DE-60438 Frankfurt, Germany

[5] Univ Hamburg, DE-22761 Hamburg, Germany

来源：

ACS NANO | 2011年 / 5卷 / 01期

基金：

瑞典研究理事会;

关键词：

X-ray free electron laser; nanocrystallography; radiation damage; molecular dynamics; coherent diffraction imaging; FREE-ELECTRON LASER; PROTEIN CRYSTALS; EXTREME-ULTRAVIOLET; DIFFRACTION; RADIATION; CASCADES; DYNAMICS; WATER; WAVE;

D O I：

10.1021/nn1020693

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Structural studies of biological macromolecules are severely limited by radiation damage. Traditional crystallography curbs the effects of damage by spreading damage over many copies of the molecule of interest in the crystal. X-ray lasers offer an additional opportunity for limiting damage by out-running damage processes with ultrashort and very intense X-ray pulses Such pulses may allow the imaging of single molecules, clusters; Or nanoparticles: Coherent flash Imaging Will also open up new avenues for structural studies on nano- and microcrystalline substances. This paper addresses the theoretical potentials and limitations of nanocrystallography with extremely intense coherent X-ray pulses. We use urea nanocrystals as a model for generic biological substances and simulate the primary and secondary ionization dynamics in the crystalline sample. The results establish conditions for ultrafast single shot nanocrystallography diffraction experiments as a function of X-ray fluence, pulse duration, and the size of nanocrystals. Nanocrystallography using ultrafast X-ray pulses has the potential to open up a new route in protein crystallography to solve atomic structures of many systems that remain Inaccessible using conventional X-ray sources.

引用

页码：139 / 146

页数：8

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