Starodub D, Doak R B, Schmidt K, Weierstall U, Wu J S, Spence J C H, Howells M, Marcus M, Shapiro D, Barty A, Chapman H N
Department of Physics and Astronomy, Arizona State University, P.O. Box 871504 Tempe, Arizona 85287-1504, USA.
J Chem Phys. 2005 Dec 22;123(24):244304. doi: 10.1063/1.2137313.
We consider a monodispersed Rayleigh droplet beam of water droplets doped with proteins. An intense infrared laser is used to align these droplets. The arrangement has been proposed for electron- and x-ray-diffraction studies of proteins which are difficult to crystallize. This paper considers the effect of thermal fluctuations on the angular spread of alignment in thermal equilibrium, and relaxation phenomena, particularly the damping of oscillations excited as the molecules enter the field. The possibility of adiabatic alignment is also considered. We find that damping times in a high-pressure gas cell as used in x-ray-diffraction experiments are short compared with the time taken for molecules to traverse the beam and that a suitably shaped field might be used for electron-diffraction experiments in vacuum to provide adiabatic alignment, thus obviating the need for a damping gas cell.
我们考虑一束掺杂蛋白质的单分散瑞利水滴束。使用强红外激光来使这些水滴排列整齐。这种装置已被提议用于对难以结晶的蛋白质进行电子和X射线衍射研究。本文考虑了热涨落在热平衡状态下对排列角度扩展的影响以及弛豫现象,特别是分子进入场中时激发的振荡的阻尼。还考虑了绝热排列的可能性。我们发现,在X射线衍射实验中使用的高压气室中的阻尼时间与分子穿过光束所需的时间相比很短,并且对于真空环境下的电子衍射实验,可以使用形状合适的场来提供绝热排列,从而无需阻尼气室。