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High Energy Resolution-X-ray Absorption Near Edge Structure Spectroscopy Reveals Zn Ligation in Whole Cell Bacteria

Author(s): Thomas, Sara A; Mishra, Bhoopesh; Myneni, Satish CB

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Abstract: Identifying the zinc (Zn) ligation and coordination environment in complex biological and environmental systems is crucial to understand the role of Zn as a biologically essential but sometimes toxic metal. Most studies on Zn coordination in biological or environmental samples rely on the extended X-ray absorption fine structure (EXAFS) region of a Zn K-edge X-ray absorption spectroscopy (XAS) spectrum. However, EXAFS analysis cannot identify unique nearest neighbors with similar atomic number (i.e., O versus N) and provides little information on Zn ligation. Herein, we demonstrate that high energy resolution-X-ray absorption near edge structure (HR-XANES) spectroscopy enables the direct determination of Zn ligation in whole cell bacteria, providing additional insights lost from EXAFS analysis at a fraction of the scan time and Zn concentration. HR-XANES is a relatively new technique that has improved our understanding of trace metals (e.g., Hg, Cu, and Ce) in dilute systems. This study is the first to show that HR-XANES can unambiguously detect Zn coordination to carboxyl, phosphoryl, imidazole, and/or thiol moieties in model microorganisms.
Publication Date: 16-May-2019
Electronic Publication Date: 30-Apr-2019
Citation: Thomas, Sara A., Bhoopesh Mishra, and Satish CB Myneni. "High energy resolution-X-ray absorption near edge structure spectroscopy reveals Zn ligation in whole cell bacteria." The Journal of Physical Chemistry Letters 10, no. 10 (2019): 2585-2592. doi:10.1021/acs.jpclett.9b01186.
DOI: doi:10.1021/acs.jpclett.9b01186
ISSN: 1948-7185
Pages: 2585 - 2592
Language: eng
Type of Material: Journal Article
Journal/Proceeding Title: Journal of Physical Chemistry Letters
Version: Author's manuscript

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