Pair Distribution Function from Electron Diffraction in Cryogenic Electron Microscopy: Revealing Glassy Water Structure

Author(s)

Souza Junior, Joao Batista ^[1] ; Schleder, Gabriel Ravanhani ^{[2, 1]} ; Colombari, Felippe Mariano ^[1] ; de Farias, Marcelo Alexandre ^[1] ; Bettini, Jefferson ^[1] ; van Heel, Marin ^{[1, 3, 4]} ; Portugal, Rodrigo Villares ^[1] ; Fazzio, Adalberto ^{[2, 1]} ; Leite, Edson Roberto ^{[5, 1]}

Affiliation

^[1] Brazilian Ctr Res Energy & Mat CNPEM, Brazilian Nanotechnol Natl Lab LNNano, BR-13083970 Campinas - Brazil

^[2] Fed Univ ABC UFABC, BR-09210580 Santo Andre, SP - Brazil

^[3] Ctr Electron Nanoscopy NeCEN, NL-2333 CC Leiden - Netherlands

^[4] Imperial Coll London, Fac Nat Sci, London SW7 2AZ - England

^[5] Univ Fed Sao Carlos, Dept Chem, BR-13565905 Sao Carlos, SP - Brazil

• Document type: Journal article
• Source: Journal of Physical Chemistry Letters; v. 11, n. 4, p. 1564-1569, FEB 20 2020.
• Web of Science Citations: 0

Abstract

In recent years, cryogenic electron microscopy (Cryo-EM) has revolutionized the structure determination of wet samples and especially that of biological macromolecules. The glassy-water medium in which the molecules are embedded is considered an almost in vivo environment for biological samples. The local structure of amorphous ice is known from neutron- and X-ray-diffraction studies, techniques appropriate for much larger volumes than those used in cryo-EM. We here present a first study of the pair-distribution function g(r) of glassy water under cryo-EM conditions using electron diffraction data. We found g(r) to be between that of low-density amorphous ice and that of supercooled water. Under electron exposure, cubic-ice regions were found to nucleate in thicker glassy-water samples. Our work enables to obtain quantitative structural information using g(r) from cryo-EM. (AU)

• FAPESP's process: 17/02317-2 - Interfaces in materials: electronic, magnetic, structural and transport properties
• Grantee: Adalberto Fazzio
• Support Opportunities: Research Projects - Thematic Grants
• FAPESP's process: 13/07296-2 - CDMF - Center for the Development of Functional Materials
• Grantee: Elson Longo da Silva
• Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC
• FAPESP's process: 17/18139-6 - Machine learning for Materials Science: 2D materials discovery and design
• Grantee: Gabriel Ravanhani Schleder
• Support Opportunities: Scholarships in Brazil - Doctorate
• FAPESP's process: 18/05159-1 - Static and dynamic self-assembly of inorganic nanoparticles
• Grantee: João Batista Souza Junior
• Support Opportunities: Scholarships in Brazil - Post-Doctoral