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Putting MicroED to the Test: An Account of the Evaluation of 30 Diverse Pharmaceutical Compounds

Burch, Jessica E. and Smith, Austin G. and Caille, Seb and Walker, Shawn D. and Wurz, Ryan and Cee, Victor J. and Rodriguez, José and Gostovic, D. and Quasdorf, Kyle and Nelson, Hosea M. (2021) Putting MicroED to the Test: An Account of the Evaluation of 30 Diverse Pharmaceutical Compounds. . (Unpublished)

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The application of microcrystal electron diffraction (microED) to a variety of pharmaceutical compounds is reported. The examples and work detailed showcase the utility of microED as a routine technique for the rapid collection, analysis, and generation of structural data on a number of pharmaceutically relevant compounds, requiring minimal sample preparation and often without the need for time-consuming vitrification and cryo transfer processes. The development of a scripted data processing workflow allowed for simultaneous collection and processing of electron diffraction data, further expediting structural analysis of fifteen compounds.

Item Type:Report or Paper (Discussion Paper)
Related URLs:
URLURL TypeDescription Paper
Burch, Jessica E.0000-0002-3578-1770
Smith, Austin G.0000-0002-3029-4682
Walker, Shawn D.0000-0001-8827-4679
Wurz, Ryan0000-0003-1413-5208
Cee, Victor J.0000-0002-7714-397X
Rodriguez, José0000-0001-8471-2504
Nelson, Hosea M.0000-0002-4666-2793
Additional Information:The content is available under CC BY NC 4.0 License. Financial support for this work was generously provided by the David and Lucile Packard Foundation (to H.M.N. & J.R.), the Arnold and Mabel Beckman Foundation (to J.R.) and the National Science Foundation (DGE-1650604 to J.E.B.) Author Contributions. H.M.N. and K.Q. conceived the idea and supervised the project. J.E.B. performed the described experiments and analyzed the data. The manuscript was written through contributions of all authors. J.E.B., H.M.N., J.R., and D.G. are founders of, a for-profit contract research organization providing electron microscopy structural solutions.
Funding AgencyGrant Number
David and Lucile Packard FoundationUNSPECIFIED
Arnold and Mabel Beckman FoundationUNSPECIFIED
NSF Graduate Research FellowshipDGE-1650604
Record Number:CaltechAUTHORS:20211015-162628843
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Official Citation:Burch JE, Smith AG, Caille S, et al. Putting MicroED to the Test: An Account of the Evaluation of 30 Diverse Pharmaceutical Compounds. ChemRxiv. 2021. doi:10.33774/chemrxiv-2021-h3tqz
Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:111463
Deposited By: George Porter
Deposited On:18 Oct 2021 18:03
Last Modified:18 Oct 2021 18:03

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