x射线自由电子激光单粒子成像对真实光源和探测器性能的预期分辨率限制。

IF 2.3 2区 物理与天体物理 Q3 CHEMISTRY, PHYSICAL
Structural Dynamics-Us Pub Date : 2022-11-16 eCollection Date: 2022-11-01 DOI:10.1063/4.0000169
Juncheng E, Y Kim, J Bielecki, M Sikorski, R de Wijn, C Fortmann-Grote, J Sztuk-Dambietz, J C P Koliyadu, R Letrun, H J Kirkwood, T Sato, R Bean, A P Mancuso, C Kim
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引用次数: 4

摘要

前所未有的x射线自由电子激光源强度使各种生物标本在二维投影和三维(3D)的单粒子x射线衍射成像(SPI)成为可能。在自然条件下研究蛋白质动力学的潜力,无需结晶或化学染色,鼓励研究人员瞄准越来越高的分辨率,使用这种技术。目前可实现的SPI分辨率被限制在10纳米以下的范围内,主要是由于背景效应,如仪器噪声和用于样品输送的载气的寄生散射。最近的理论研究量化了x射线脉冲参数的影响,以及在三维重建中达到一定分辨率所需的衍射图案数量,尽管没有考虑探测器噪声和每次衍射快照中随机粒子方向的影响。在这项工作中,我们展示了这些缺点,并解决了自适应增益集成像素检测器噪声对可实现图像分辨率的限制。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Expected resolution limits of x-ray free-electron laser single-particle imaging for realistic source and detector properties.

Expected resolution limits of x-ray free-electron laser single-particle imaging for realistic source and detector properties.

Expected resolution limits of x-ray free-electron laser single-particle imaging for realistic source and detector properties.

Expected resolution limits of x-ray free-electron laser single-particle imaging for realistic source and detector properties.

The unprecedented intensity of x-ray free-electron laser sources has enabled single-particle x-ray diffraction imaging (SPI) of various biological specimens in both two-dimensional projection and three dimensions (3D). The potential of studying protein dynamics in their native conditions, without crystallization or chemical staining, has encouraged researchers to aim for increasingly higher resolutions with this technique. The currently achievable resolution of SPI is limited to the sub-10 nanometer range, mainly due to background effects, such as instrumental noise and parasitic scattering from the carrier gas used for sample delivery. Recent theoretical studies have quantified the effects of x-ray pulse parameters, as well as the required number of diffraction patterns to achieve a certain resolution, in a 3D reconstruction, although the effects of detector noise and the random particle orientation in each diffraction snapshot were not taken into account. In this work, we show these shortcomings and address limitations on achievable image resolution imposed by the adaptive gain integrating pixel detector noise.

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来源期刊
Structural Dynamics-Us
Structural Dynamics-Us CHEMISTRY, PHYSICALPHYSICS, ATOMIC, MOLECU-PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
CiteScore
5.50
自引率
3.60%
发文量
24
审稿时长
16 weeks
期刊介绍: Structural Dynamics focuses on the recent developments in experimental and theoretical methods and techniques that allow a visualization of the electronic and geometric structural changes in real time of chemical, biological, and condensed-matter systems. The community of scientists and engineers working on structural dynamics in such diverse systems often use similar instrumentation and methods. The journal welcomes articles dealing with fundamental problems of electronic and structural dynamics that are tackled by new methods, such as: Time-resolved X-ray and electron diffraction and scattering, Coherent diffractive imaging, Time-resolved X-ray spectroscopies (absorption, emission, resonant inelastic scattering, etc.), Time-resolved electron energy loss spectroscopy (EELS) and electron microscopy, Time-resolved photoelectron spectroscopies (UPS, XPS, ARPES, etc.), Multidimensional spectroscopies in the infrared, the visible and the ultraviolet, Nonlinear spectroscopies in the VUV, the soft and the hard X-ray domains, Theory and computational methods and algorithms for the analysis and description of structuraldynamics and their associated experimental signals. These new methods are enabled by new instrumentation, such as: X-ray free electron lasers, which provide flux, coherence, and time resolution, New sources of ultrashort electron pulses, New sources of ultrashort vacuum ultraviolet (VUV) to hard X-ray pulses, such as high-harmonic generation (HHG) sources or plasma-based sources, New sources of ultrashort infrared and terahertz (THz) radiation, New detectors for X-rays and electrons, New sample handling and delivery schemes, New computational capabilities.
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