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Title: Nanocrystallography measurements of early stage synthetic malaria pigment

Abstract

The recent availability of extremely intense, femtosecond X-ray free-electron laser (XFEL) sources has spurred the development of serial femtosecond nanocrystallography (SFX). Here, SFX is used to analyze nanoscale crystals of β-hematin, the synthetic form of hemozoin which is a waste by-product of the malaria parasite. This analysis reveals significant differences in β-hematin data collected during SFX and synchrotron crystallography experiments. To interpret these differences two possibilities are considered: structural differences between the nanocrystal and larger crystalline forms of β-hematin, and radiation damage. Simulation studies show that structural inhomogeneity appears at present to provide a better fit to the experimental data. If confirmed, these observations will have implications for designing compounds that inhibit hemozoin formation and suggest that, for some systems at least, additional information may be gained by comparing structures obtained from nanocrystals and macroscopic crystals of the same molecule.

Authors:
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Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States); Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1418317
Alternate Identifier(s):
OSTI ID: 1433955
Report Number(s):
BNL-203476-2018-JAAM
Journal ID: ISSN 1600-5767; JACGAR; PII: S1600576717012663
Grant/Contract Number:
AC02-76SF00515; SC0012704
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Applied Crystallography (Online)
Additional Journal Information:
Journal Name: Journal of Applied Crystallography (Online); Journal Volume: 50; Journal Issue: 5; Journal ID: ISSN 1600-5767
Publisher:
International Union of Crystallography
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystallography; serial femtosecond nanocrystallography; malaria; crystalline disorder; structural inhomogeniety

Citation Formats

Dilanian, Ruben A., Streltsov, Victor, Coughlan, Hannah D., Quiney, Harry M., Martin, Andrew V., Klonis, Nectarios, Dogovski, Con, Boutet, Sébastien, Messerschmidt, Marc, Williams, Garth J., Williams, Sophie, Phillips, Nicholas W., Nugent, Keith A., Tilley, Leann, and Abbey, Brian. Nanocrystallography measurements of early stage synthetic malaria pigment. United States: N. p., 2017. Web. doi:10.1107/S1600576717012663.
Dilanian, Ruben A., Streltsov, Victor, Coughlan, Hannah D., Quiney, Harry M., Martin, Andrew V., Klonis, Nectarios, Dogovski, Con, Boutet, Sébastien, Messerschmidt, Marc, Williams, Garth J., Williams, Sophie, Phillips, Nicholas W., Nugent, Keith A., Tilley, Leann, & Abbey, Brian. Nanocrystallography measurements of early stage synthetic malaria pigment. United States. doi:10.1107/S1600576717012663.
Dilanian, Ruben A., Streltsov, Victor, Coughlan, Hannah D., Quiney, Harry M., Martin, Andrew V., Klonis, Nectarios, Dogovski, Con, Boutet, Sébastien, Messerschmidt, Marc, Williams, Garth J., Williams, Sophie, Phillips, Nicholas W., Nugent, Keith A., Tilley, Leann, and Abbey, Brian. Thu . "Nanocrystallography measurements of early stage synthetic malaria pigment". United States. doi:10.1107/S1600576717012663. https://www.osti.gov/servlets/purl/1418317.
@article{osti_1418317,
title = {Nanocrystallography measurements of early stage synthetic malaria pigment},
author = {Dilanian, Ruben A. and Streltsov, Victor and Coughlan, Hannah D. and Quiney, Harry M. and Martin, Andrew V. and Klonis, Nectarios and Dogovski, Con and Boutet, Sébastien and Messerschmidt, Marc and Williams, Garth J. and Williams, Sophie and Phillips, Nicholas W. and Nugent, Keith A. and Tilley, Leann and Abbey, Brian},
abstractNote = {The recent availability of extremely intense, femtosecond X-ray free-electron laser (XFEL) sources has spurred the development of serial femtosecond nanocrystallography (SFX). Here, SFX is used to analyze nanoscale crystals of β-hematin, the synthetic form of hemozoin which is a waste by-product of the malaria parasite. This analysis reveals significant differences in β-hematin data collected during SFX and synchrotron crystallography experiments. To interpret these differences two possibilities are considered: structural differences between the nanocrystal and larger crystalline forms of β-hematin, and radiation damage. Simulation studies show that structural inhomogeneity appears at present to provide a better fit to the experimental data. If confirmed, these observations will have implications for designing compounds that inhibit hemozoin formation and suggest that, for some systems at least, additional information may be gained by comparing structures obtained from nanocrystals and macroscopic crystals of the same molecule.},
doi = {10.1107/S1600576717012663},
journal = {Journal of Applied Crystallography (Online)},
number = 5,
volume = 50,
place = {United States},
year = {Thu Sep 28 00:00:00 EDT 2017},
month = {Thu Sep 28 00:00:00 EDT 2017}
}

Journal Article:
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