从单个视图确定三维结构
Three-dimensional structure determination from a single view
摘要：
确定物质三维结构的能力极大地促进了我们对自然的理解。传统上，用于物体的3D结构确定的最广泛使用的方案是通过在各种样品取向上获取多个测量值来实现的，如在晶体学和断层扫描（1，2）的情况下，或者通过扫描样品的一系列薄切片来实现的，如在共焦显微镜（3）中。在这里，我们提出了一种3D成像模式，称为ankylography（来自希腊单词ankylos的意思是'弯曲'和graphein的意思是'书写'），它使完整的3D结构确定从一个单一的曝光使用单色入射光束。我们证明，当一个有限的物体的衍射图案采样在一个足够精细的尺度上的埃瓦尔德球，物体的三维结构是由二维球面图案。我们确认的理论分析，通过执行3D数值重建的硅酸钠玻璃结构在2埃分辨率和一个单一的脊髓灰质炎病毒在2 - 3 nm的分辨率，从2D球形衍射图案单独。使用从软X射线激光衍射数据，我们证明，ankylography是实验上可行的，从一个单一的2D衍射图案获得一个3D图像的测试对象。这种从单个视图获得完整的3D结构信息的方法预计将在物理和生命科学中找到广泛的应用。随着X射线自由电子激光（X-FEL）和其他相干X射线源在世界范围内的快速发展，ankylography可能打开了一扇门，以确定在一个单一的脉冲生物标本的三维结构，并允许时间分辨的三维结构确定无序材料。
英文摘要：
The ability to determine the structure of matter in three dimensions has profoundly advanced our understanding of nature. Traditionally, the most widely used schemes for 3D structure determination of an object are implemented by acquiring multiple measurements over various sample orientations, as in the case of crystallography and tomography (1,2), or by scanning a series of thin sections through the sample, as in confocal microscopy (3). Here we present a 3D imaging modality, termed ankylography (derived from the Greek words ankylos meaning 'curved' and graphein meaning 'writing'), which enables complete 3D structure determination from a single exposure using a monochromatic incident beam. We demonstrate that when the diffraction pattern of a finite object is sampled at a sufficiently fine scale on the Ewald sphere, the 3D structure of the object is determined by the 2D spherical pattern. We confirm the theoretical analysis by performing 3D numerical reconstructions of a sodium silicate glass structure at 2 Angstrom resolution and a single poliovirus at 2 - 3 nm resolution from 2D spherical diffraction patterns alone. Using diffraction data from a soft X-ray laser, we demonstrate that ankylography is experimentally feasible by obtaining a 3D image of a test object from a single 2D diffraction pattern. This approach of obtaining complete 3D structure information from a single view is anticipated to find broad applications in the physical and life sciences. As X-ray free electron lasers (X-FEL) and other coherent X-ray sources are under rapid development worldwide, ankylography potentially opens a door to determining the 3D structure of a biological specimen in a single pulse and allowing for time-resolved 3D structure determination of disordered materials.
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