Abstract:
Quantitative analysis of complex mixtures, including compounds having similar chemical properties, is demonstrated using an automatic and high throughput approach to microcrystal electron diffraction (MicroED). Compositional analysis of organic and inorganic compounds can be accurately executed without the need of diffraction standards. Additionally, with sufficient statistics, small amounts of compounds in mixtures can be reliably detected. These compounds can be distinguished by their crystal structure properties prior to structure solution. In addition, if the crystals are of good quality, the crystal structures can be generated on the fly, providing a complete analysis of the sample. MicroED is an effective method for analyzing the structural properties of sub-micron crystals, which are frequently found in small-molecule powders. By developing and using an automatic and high throughput approach to MicroED, and with the use of SerialEM for data collection, data from thousands of crystals allow sufficient statistics to detect even small amounts of compounds reliably.
摘要:
复杂混合物的定量分析,包括具有相似化学性质的化合物,使用自动和高通量的方法来证明微晶电子衍射(MicroED)。有机和无机化合物的组成分析可以准确地进行,而无需衍射标准。此外,有足够的统计数据,可以可靠地检测混合物中的少量化合物。这些化合物可以通过其在结构溶液之前的晶体结构性质来区分。此外,如果晶体质量好,晶体结构可以在飞行中产生,提供样品的完整分析。MicroED是分析亚微米晶体结构性质的有效方法,在小分子粉末中经常发现。通过开发和使用自动和高通量的MicroED方法,并且使用SerialEM进行数据收集,来自成千上万晶体的数据允许足够的统计数据来可靠地检测甚至少量的化合物。