Cryo-EM combined with image deconvolution to determine ZIF-8 crystal structure

doi:10.1088/1674-1056/ad48f8

中国物理B ›› 2024, Vol. 33 ›› Issue (7): 76802-076802.doi: 10.1088/1674-1056/ad48f8

Cryo-EM combined with image deconvolution to determine ZIF-8 crystal structure

Kang Wu(吴抗)^1,2, Baisong Yang(杨柏松)², Wenhua Xue(薛文华)², Dapeng Sun(孙大鹏)^2,†, Binghui Ge(葛炳辉)^1,‡, and Yumei Wang(王玉梅)^2,3,§

1 Information Materials and Intelligent Sensing Laboratory of Anhui Province, Leibniz International Joint Research Center of Materials Sciences of Anhui Province, Institutes of Physical Science and Information Technology, Anhui University, Hefei 230601, China;
2 Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;
3 Beijing Branch of Songshan Lake Materials Laboratory, Dongguan 523808, China

收稿日期:2024-03-29 修回日期:2024-05-06 接受日期:2024-05-09 出版日期:2024-06-18 发布日期:2024-06-20
通讯作者: Dapeng Sun, Binghui Ge, Yumei Wang E-mail:225sundapeng@iphy.ac.cn;bhge@ahu.edu.cn;wangym@iphy.ac.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant Nos. 12074409 and 12374021).

Cryo-EM combined with image deconvolution to determine ZIF-8 crystal structure

Kang Wu(吴抗)^1,2, Baisong Yang(杨柏松)², Wenhua Xue(薛文华)², Dapeng Sun(孙大鹏)^2,†, Binghui Ge(葛炳辉)^1,‡, and Yumei Wang(王玉梅)^2,3,§

1 Information Materials and Intelligent Sensing Laboratory of Anhui Province, Leibniz International Joint Research Center of Materials Sciences of Anhui Province, Institutes of Physical Science and Information Technology, Anhui University, Hefei 230601, China;
2 Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China;
3 Beijing Branch of Songshan Lake Materials Laboratory, Dongguan 523808, China

Received:2024-03-29 Revised:2024-05-06 Accepted:2024-05-09 Online:2024-06-18 Published:2024-06-20
Contact: Dapeng Sun, Binghui Ge, Yumei Wang E-mail:225sundapeng@iphy.ac.cn;bhge@ahu.edu.cn;wangym@iphy.ac.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant Nos. 12074409 and 12374021).

摘要/Abstract

摘要： Metal-organic frameworks (MOFs) are crystalline porous materials with tunable properties, exhibiting great potential in gas adsorption, separation and catalysis.^[1,2]It is challenging to visualize MOFs with transmission electron microscopy (TEM) due to their inherent instability under electron beam irradiation. Here, we employ cryo-electron microscopy (cryo-EM) to capture images of MOF ZIF-8, revealing inverted-space structural information at a resolution of up to about 1.7 Å and enhancing its critical electron dose to around 20 $e^-$/Å$^{2}$. In addition, it is confirmed by electron-beam irradiation experiments that the high voltage could effectively mitigate the radiolysis, and the structure of ZIF-8 is more stable along the [100] direction under electron beam irradiation. Meanwhile, since the high-resolution electron microscope images are modulated by contrast transfer function (CTF) and it is difficult to determine the positions corresponding to the atomic columns directly from the images. We employ image deconvolution to eliminate the impact of CTF and obtain the structural images of ZIF-8. As a result, the heavy atom Zn and the organic imidazole ring within the organic framework can be distinguished from structural images.

关键词: cryo-electron microscopy (cryo-EM), ZIF-8, image deconvolution, crystal structure determination

Abstract: Metal-organic frameworks (MOFs) are crystalline porous materials with tunable properties, exhibiting great potential in gas adsorption, separation and catalysis.^[1,2]It is challenging to visualize MOFs with transmission electron microscopy (TEM) due to their inherent instability under electron beam irradiation. Here, we employ cryo-electron microscopy (cryo-EM) to capture images of MOF ZIF-8, revealing inverted-space structural information at a resolution of up to about 1.7 Å and enhancing its critical electron dose to around 20 $e^-$/Å$^{2}$. In addition, it is confirmed by electron-beam irradiation experiments that the high voltage could effectively mitigate the radiolysis, and the structure of ZIF-8 is more stable along the [100] direction under electron beam irradiation. Meanwhile, since the high-resolution electron microscope images are modulated by contrast transfer function (CTF) and it is difficult to determine the positions corresponding to the atomic columns directly from the images. We employ image deconvolution to eliminate the impact of CTF and obtain the structural images of ZIF-8. As a result, the heavy atom Zn and the organic imidazole ring within the organic framework can be distinguished from structural images.

Key words: cryo-electron microscopy (cryo-EM), ZIF-8, image deconvolution, crystal structure determination

中图分类号: (High-resolution transmission electron microscopy (HRTEM))

68.37.Og

Kang Wu(吴抗), Baisong Yang(杨柏松), Wenhua Xue(薛文华), Dapeng Sun(孙大鹏), Binghui Ge(葛炳辉), and Yumei Wang(王玉梅). Cryo-EM combined with image deconvolution to determine ZIF-8 crystal structure[J]. 中国物理B, 2024, 33(7): 76802-076802.

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Cryo-EM combined with image deconvolution to determine ZIF-8 crystal structure

Cryo-EM combined with image deconvolution to determine ZIF-8 crystal structure

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