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Composing complex EXAFS problems with severe information constraints

B Ravel

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In recent work, a model for the structural environment of Hg bound to a catalytic DNA sensor was proposed on the basis of EXAFS data analysis. Although severely constrained by limited data quality and scant supporting structural data, a compelling structural model was found which agreed with a similar but less detailed model proposed on the basis on NMR data. I discuss in detail the successes and limitations of the analytical strategy that were implemented in the earlier work. I then speculate on future software requirements needed to make this and similarly complex analytical strategies more available to the wider audience of EXAFS practitioners.


PACS

87.15.M- Spectra of biomolecules

87.80.-y Biophysical techniques (research methods)

07.07.Df Sensors (chemical, optical, electrical, movement, gas, etc.); remote sensing

32.30.Rj X-ray spectra

87.14.G- Nucleic acids

Subjects

Atomic and molecular physics

Instrumentation and measurement

Medical physics

Biological physics

Dates

Issue 1 (2009)



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