Fingerprints and Structural Information by EXAFS

Solid lines show the data and the dashed lines show the best fits. 2004 Science in China Press. 

improved single-crystal XRD also led to a symmetric structure which is completely in accordance with the EXAFS data. 

In our study on the structural information of Hg in human hair and blood samples, EXAFS fitting found Hg is coordinated by three sulfur atoms in hair and four sulfur atoms in both RBC and serum, as shown in Table 6.2. 

EXAFS has become a standard method for probing the metal site structure in different metalloproteins and metalloenzymes and also in the study of metallodrugs. It has been applied to many metalloproteins that have been purified and isolated containing Fe, Mn, Co, Zn, Ni,  

and others. For example, nickel EXAFS of carbon monoxide dehydrogenase (CODH) from Clostridium thermoaceticum strain DSM 521 were collected and the Fourier filtered data was best fit to sulfur at 0.216 nm. A reasonable fit to oxygen/nitrogen could only be obtained by setting the zIEq to 40 and the Debye-Waller term to 5xl0 nm. A reasonable Ni-S fit was also obtained by assuming two Ni-S bond lengths at 0.222 and 0.211 nm, respectively. Addition of a Ni-M (M=Fe, Ni, Zn) term at 0.325 nm, also improved the 

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