期刊
INORGANIC CHEMISTRY
卷 59, 期 18, 页码 13551-13560出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.inorgchem.0c01931
关键词
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资金
- Max Planck Society
- National Institutes of Health [NIH R01 GM038047]
- U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences [DE-AC02-765F00515]
As the second most common transition metal in the human body, zinc is of great interest to research but has few viable routes for its direct structural study in biological systems. Herein, Zn valence-to-core X-ray emission spectroscopy (VtC XES) and Zn K-edge X-ray absorption spectroscopy (XAS) are presented as a means to understand the local structure of zinc in biological systems through the application of these methods to a series of biologically relevant molecular model complexes. Taken together, the Zn K-edge XAS and VtC XES provide a means to establish the ligand identity, local geometry, and metal-ligand bond lengths. Experimental results are supported by correlation with density-functional-theory-based calculations. Combining these theoretical and experimental approaches will enable future applications to protein systems in a predictive manner.
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